Compound Summary

  Compound Information
 33069-62-4

Compound Name:

33069-62-4

Compound CID:

36314

Synonyms:

33069-62-4

P88XT4IS4D

Paclitaxel

Taxol

Taxol A

More...

Iupac Name:

[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate

InChI:

InChI=1S/C47H51NO14/c1-25-31(60-43(56)36(52)35(28-16-10-7-11-17-28)48-41(54)29-18-12-8-13-19-29)23-47(57)40(61-42(55)30-20-14-9-15-21-30)38-45(6,32(51)22-33-46(38,24-58-33)62-27(3)50)39(53)37(59-26(2)49)34(25)44(47,4)5/h7-21,31-33,35-38,40,51-52,57H,22-24H2,1-6H3,(H,48,54)/t31-,32-,33+,35-,36+,37+,38-,40-,45+,46-,47+/m0/s1

InChIKey:

RCINICONZNJXQF-MZXODVADSA-N

Canonical Smiles:

CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C

Isomeric Smiles:

CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C

Molecular Weight:

853.9

Molecular Formula:

C47H51NO14

  Compound Structure
 2D Structure:
 3D Structure:
  Computed Properties
 33069-62-4

Molecular Weight:

853.9

Molecular Formula:

C47H51NO14

Hydrogen Bond Donor Count:

4

Hydrogen Bond Acceptor Count:

14

Rotatable Bond Count:

14

Heavy Atom Count:

62

Complexity:

1790

  Synonyms
 33069-62-4

33069-62-4 33069-62-4

33069-62-4

P88XT4IS4D

Paclitaxel

Taxol

Taxol A

Abraxane

Yewtaxan

Paxene

Genaxol

Paxceed

Plaxicel

Onxol

ABI-007

Ebetaxel

Genetaxyl

Capxol

LipoPac

OncoGel

Paclitaxel (Taxol)

Genexol

Intaxel

Pacliex

TaxAlbin

Zisu

NSC-125973

EmPAC

NSC 125973

Onxal

ABI 007

BMS 181339-01

UNII-P88XT4IS4D

MBT 0206

NSC125973

HSDB 6839

DHP 107

DRG-0190

MFCD00869953

NK 105

QW 8184

BMS-181339-01

CHEMBL428647

(2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-9-(((2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyl)oxy)-12-(benzoyloxy)-4,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-1H-7,11-methanocyclodeca3,4benzo1,2-boxete-6,12b-diyl diacetate

5beta,20-Epoxy-1,2-alpha,4,7beta,10beta,13alpha-hexahydroxytax-11-en-9-one 4,10-diacetate 2-benzoate 13-ester with (2R,3S)-N-benzoyl-3-phenylisoserine

CHEBI:45863

nab-paclitaxel

DHP-107

(2aR-(2aalpha,4beta,4abeta,6beta,9alpha(alpha R*,betaS*),11alpha,12alpha,12balpha))-beta-(Benzoylamino)-alpha-hydroxybenzenepropanoic acid 6,12b-bis(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca(3,4)benz(1,2-b)oxet-9-yl ester

NCGC00164367-01

Cyclopax

Mitotax

Padexol

Anzatax

Cynviloq

Nanoxel

Sindaxel

Xorane

Cypher select

Coroflex Please

Taxus stent

Taxus Express

Taxus Liberte

7,11-Methano-1H-cyclodeca3,4benz1,2-boxete, benzenepropanoic acid deriv.

(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-bis(acetyloxy)-1,9-dihydroxy-15-{(2R,3S)-2-hydroxy-3-phenyl-3-(phenylformamido)propanoyloxy}-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo11.3.1.0^{3,10}.0^{4,7}heptadec-13-en-2-yl benzoate

(NAB)-Paclitaxel

SMR000857385

EndoTAG 1

EndoTAG-1

LEP-ETU

SR-01000075350

Abraxane I.V. Suspension

Infinnium

Nanotaxel

Paclical

Pacligel

Paxoral

CCRIS 8143

Genexol-PM

Paclitaxel,(S)

Paclitaxel USAN:USP:INN:BAN

Abraxane (TN)

(2alpha,5beta,7beta,10beta,13alpha)-4,10-bis(acetyloxy)-1,7-dihydroxy-13-({(2R,3S)-2-hydroxy-3-phenyl-3-(phenylcarbonyl)aminopropanoyl}oxy)-9-oxo-5,20-epoxytax-11-en-2-yl benzoate

diacetoxy-(2R,3S)-3-benzamido-2-hydroxy-3-phenyl-propanoyloxy-dihydroxy-tetramethyl-oxo-?yl benzoate

Nanoparticle albumin bound paclitaxel

CAS-33069-62-4

IG 001

BMS-181339

Paclitaxel-SSMM-VIP

Liposome-entrapped paclitaxel easy-to-use

P-SSMM-VIP

Prestwick3_000155

DSSTox_CID_3413

TAXOL (TN)

SCHEMBL3976

DSSTox_RID_77016

Nova-12005

Paclitaxel, Taxus brevifolia

BIDD:PXR0046

DSSTox_GSID_23413

BSPBio_000290

KBioGR_002509

KBioSS_002517

Paclitaxel (JAN/USP/INN)

MLS002154218

MLS002695976

OAS-PAC-100

BPBio1_000320

GTPL2770

MEGxp0_001940

Taxol (TN) (Bristol Meyers)

DTXSID9023413

ACon1_002231

KBio2_002509

KBio2_005077

KBio2_007645

KBio3_002987

ANX-513

DHP-208

DTS-301

SDP-013

cMAP_000068

HMS2090D07

HMS2095O12

HMS2231A16

HMS3712O12

Abraxane (albumin-bound suspension)

ACT02709

HY-B0015

MBT-0206

MPI-5018

Tox21_112107

BDBM50001839

NK-105

NSC745099

ZINC96006020

ABI-007 COMPONENT PACLITAXEL

AKOS007930675

AKOS015969673

AKOS025312303

ACN-032459

CCG-220155

CS-1145

DB01229

GS-6554

NSC-745099

QW-8184

NCGC00164367-02

NCGC00164367-03

NCGC00164367-04

NCGC00164367-05

NCGC00164367-10

Paclitaxel, From Taxus brevifolia, 95%

(2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-1,2a,3,4,4a,6,9,10,11,12,12a,12b-Dodecahydro-4,6,9,11,12,12b-hexahydroxy-4a,8,13,13-tetramethyl-7,11-methano-5H-cyclodeca(3,4)benz(1,2-b)oxet-5-one 6,12b-diacetate, 12-benzoate, 9-ester with (2R,3S)-N-benzoyl-3-phenylisoserine

NCI60_000601

Paclitaxel, from Taxus yannanensis, powder

AB0069184

AB00513812

N1361

D00491

M02242

N88686

10337-EP2269989A1

10337-EP2270018A1

10337-EP2272827A1

10337-EP2272832A1

10337-EP2277507A1

10337-EP2277865A1

10337-EP2277876A1

10337-EP2280012A2

10337-EP2280014A2

10337-EP2281815A1

10337-EP2281820A2

10337-EP2286795A1

10337-EP2287168A2

10337-EP2289876A1

10337-EP2289892A1

10337-EP2292233A2

10337-EP2292234A1

10337-EP2292614A1

10337-EP2292615A1

10337-EP2295412A1

10337-EP2295413A1

10337-EP2295416A2

10337-EP2298748A2

10337-EP2298754A1

10337-EP2298772A1

10337-EP2298780A1

10337-EP2301533A1

10337-EP2301536A1

10337-EP2301538A1

10337-EP2301928A1

10337-EP2301933A1

10337-EP2301940A1

10337-EP2302382A2

10337-EP2302383A2

10337-EP2305243A1

10337-EP2305250A1

10337-EP2305640A2

10337-EP2305642A2

10337-EP2305671A1

10337-EP2305679A1

10337-EP2305689A1

10337-EP2305808A1

10337-EP2308833A2

10337-EP2308839A1

10337-EP2308861A1

10337-EP2311455A1

10337-EP2311808A1

10337-EP2311827A1

10337-EP2311829A1

10337-EP2314295A1

10337-EP2314574A1

10337-EP2316452A1

10337-EP2316832A1

10337-EP2316833A1

AB00513812-02

AB00513812-03

069P624

Paclitaxel, Antibiotic for Culture Media Use Only

Q423762

7,4benz1,2-boxete,benzenepropanoic acid deriv.

Q-201533

SR-01000075350-1

SR-01000075350-3

SR-01000075350-6

SR-01000075350-7

SR-01000075350-9

BRD-K62008436-001-03-1

BRD-K62008436-001-05-6

BRD-K62008436-001-22-1

Paclitaxel, from semisynthetic (from Taxus sp.), >=97%

Paclitaxel, European Pharmacopoeia (EP) Reference Standard

Paclitaxel, from Taxus brevifolia, >=95% (HPLC), powder

Paclitaxel, United States Pharmacopeia (USP) Reference Standard

12-benzoate, 9-ester with (2R,3S)-N-benzoyl-3-phenylisoserine

Paclitaxel, Pharmaceutical Secondary Standard; Certified Reference Material

Paclitaxel natural for peak identification, European Pharmacopoeia (EP) Reference Standard

(2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-1,2a,3,4,4a,6,9,10,11,12,12a,12b-Dodecahydro 4,6,9,11,12,12b-hexahydroxy-4a,8,13,13-tetramethyl-7,11-methano 5Hcyclodeca(3,4)benz(1,2-b)oxet-5-one 6,12b-diacetate,

(2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-6,12b-bis(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca3,4benz1,2-boxet-9-yl (aR,bS)-b-(benzoylamino)-a-hydroxybenzenepropanoate

(2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-9-(((2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyl)oxy)-12-(benzoyloxy)-4,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-3,4,4a,5,6,9,10,11,12,12a-decahydro-1H-7,11-methanocyclodeca3,4benzo1,2-boxete-6,12b(2aH)-diyl diacetate

(2aR-(2aalpha,4beta,4abeta,6beta,9alpha(alpha R*,betaS*),11alpha,12alpha,12balpha))-beta-(Benzoylamino)-alpha-hydroxybenzenepropanoic acid 6,12b-bis(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12

(2beta,5beta,7alpha,8alpha,10alpha,13alpha)-4,10-bis(acetyloxy)-1,7-dihydroxy-13-({(2R,3S)-2-hydroxy-3-phenyl-3-(phenylcarbonyl)aminopropanoyl}oxy)-9-oxo-5,20-epoxytax-11-en-2-yl benzoate

(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-(2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyloxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo11.3.1.03,10.04,7heptadec-13-en-2-yl benzoate

1203669-79-7

4alpha,10beta-bis(acetyloxy)-13alpha-(2S,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyloxy-1,7beta-dihydroxy-9-oxo-5beta,20-epoxytax-11-en-2alpha-yl benzoate

5?,20-Epoxy-1,7?-dihydroxy-9-oxotax-11-ene-2?,4,10?,13?-tetrayl 4,10-diacetate 2-benzoate 13-(2R,3S)-3-(benzoylamino)-2-hydroxy-3-phenylpropanoate

Benzenepropanoic acid, 6,12b-bis(acetyl oxy)-12-(benzoyloxy)- 2a,3,4,4a,5,6,9,10,11,12,12a,12b,- dodecahydro-4,11- dihydroxy-4a,8,13,13-tetramethyl-5-oxo- 7,11-methano- 1H-cyclodeca3,4benz1,2-boxet-9-yl ester, 2aR- 2a.alpha.,4.beta.,4a.beta.,6.beta.,9.alpha.(alpha. R*,.beta.S*),11.alpha.,12.alpha.,12a.alpha.,12b.alpha.-

Benzenepropanoic acid, b-(benzoylamino)-.alpha.-hydroxy-, (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-6,12b-bis(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca3,4benz1,2-boxet-9-yl ester, (aR,bS)-

Benzenepropanoic acid, beta-(benzoylamino)-alpha-hydroxy-, (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-6,12b-bis(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-4a,8,13

Benzenepropanoic acid, beta-(benzoylamino)-alpha-hydroxy-, (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-6,12b-bis(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca(3,4)benz(1,2-b)oxet-9-yl ester, (alphaR,betaS)-

Benzenepropanoic acid, beta-(benzoylamino)-alpha-hydroxy-, 6,12b-bis(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H

Benzenepropanoic acid, beta-(benzoylamino)-alpha-hydroxy-, 6,12b-bis(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca(3,4)benz(1,2-b)oxet-9-yl ester, (2aR-(2a-alpha,4-beta,4a-beta,6-beta,9-alpha(alpha-R*,beta-S*),11-alpha,12-alpha,12a-alpha, 12b-alpha))-

Benzenepropanoic acid, beta-(benzoylamino)-alpha-hydroxy-, 6,12b-bis(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca(3,4)benz(1,2-b)oxet-9-yl ester, (2aR-(2aalpha,4beta,4abeta,6beta,9alpha(alphaR*,betaS*),11alpha,12alpha,12aalpha,12balpha))-

Paclitaxel semi-synthetic for peak identification, European Pharmacopoeia (EP) Reference Standard

Paclitaxel semi-synthetic for system suitability, European Pharmacopoeia (EP) Reference Standard

Tax-11-en-9-one, 5beta,20-epoxy-1,2alpha,4,7beta,10beta,13alpha- hexahydroxy-, 4,10-diacetate 2-benzoate, 13-ester with (2R,3S)-N-benzoyl-3-phenylisoserine (8CI)

Tax-11-en-9-one, 5beta,20-epoxy-1,2alpha,4,7beta,10beta,13alpha-hexahydroxy-, 4,10-diacetate 2-benzoate 13-ester with (2R,3S)-N-benzoyl-3-phenylisoserine (8CI)

Tax-11-en-9-one,20-epoxy-1,2.alpha.,4,7.beta., 10.beta.,13.alpha.- hexahydroxy-, 4,10-diacetate 2- benzoate,13-ester with (2R,3S)-N-benzoyl-3-phenylisoserine

  Experimental Data
 33069-62-4

Species Dosage Unit CG Lifespan(AVG/MED days) TG Lifespan(AVG/MED days) Lifespan Change(AVG/MED%) CG Lifespan(MAX days) TG Lifespan(MAX days) Lifespan Change(MAX%) Significant Strain Gender PubMed Active Label
Caenorhabditis elegans 33 umol/L -40 NS N2 24134630 Inactive
  Experimental Data Visualization
 33069-62-4

  Statistics Data
 33069-62-4

Species Lifespan Change(AVG/MED%) Lifespan Change(MAX%) Count Reference Count Data point
Caenorhabditis elegans -40 1 1
  Statistics Data Visualization
 33069-62-4

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