Compound Summary

methotrexate
  Compound Information
 methotrexate

Compound Name:

methotrexate

Compound CID:

126941

Synonyms:

methotrexate

59-05-2

Rheumatrex

Amethopterin

Abitrexate

More...

Iupac Name:

(2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid

InChI:

InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1

InChIKey:

FBOZXECLQNJBKD-ZDUSSCGKSA-N

Canonical Smiles:

CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O

Isomeric Smiles:

CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O

Molecular Weight:

454.4

Molecular Formula:

C20H22N8O5

  Compound Structure
 2D Structure:
 3D Structure:
  Computed Properties
 methotrexate

Molecular Weight:

454.4

Molecular Formula:

C20H22N8O5

Hydrogen Bond Donor Count:

5

Hydrogen Bond Acceptor Count:

12

Rotatable Bond Count:

9

Heavy Atom Count:

33

Complexity:

704

  Synonyms
 methotrexate

methotrexate methotrexate

methotrexate

59-05-2

Rheumatrex

Amethopterin

Abitrexate

Trexall

Metatrexan

Hdmtx

Methylaminopterinum

(S)-2-(4-(((2,4-Diaminopteridin-6-yl)methyl)(methyl)amino)benzamido)pentanedioic acid

MTX

4-Amino-10-methylfolic acid

Methylaminopterin

Methotrexatum

Metotrexato

Maxtrex

Rasuvo

Mexate-Aq

N-Bismethylpteroylglutamic acid

NSC-740

NCI-C04671

Methotrexate Lpf

133073-73-1

CL-14377

UNII-YL5FZ2Y5U1

Amethopterine

Farmitrexat

EMT 25,299

L-Amethopterin

Methotrexat-Ebewe

TCMDC-125858

(2S)-2-4-(2,4-diaminopteridin-6-yl)methyl-methylaminobenzoylaminopentanedioic acid

Abitrexate (Methotrexate)

R 9985

YL5FZ2Y5U1

Methotextrate

Methotrexat

CL 14377

CHEMBL34259

NSC740

CHEBI:44185

N-4-(2,4-diamino-6-pteridinyl)methylmethylaminobenzoyl-L-glutamic acid

N-(4-{(2,4-diaminopteridin-6-yl)methyl(methyl)amino}phenyl)carbonyl-L-glutamic acid

CL14377

NCGC00025060-04

NSC 740

C20H22N8O5

4-amino-N(10)-methylpteroylglutamic acid

A-Methopterin

DSSTox_CID_822

A-Methpterin

Amethopterin L-

Folex-Pfs

MFCD00150847

(2S)-2-(4-{(2,4-diaminopteridin-6-yl)methyl(methyl)amino}phenyl)formamidopentanedioic acid

DSSTox_RID_75810

Methotrexate, L-

DSSTox_GSID_20822

R-methotrexate

X 133

Metotressato DCIT

Fauldexato

Medsatrexate

Methoblastin

Metotressato

Brimexate

Emthexat

Emthexate

Lantarel

Lumexon

Metrotex

Novatrex

Otrexup

Tremetex

Trexeron

Trixilem

Metex

Texate

MLS001401431

Methotrexatum INN-Latin

Metotrexato INN-Spanish

3Hmethotrexate

SMR000112001

3H-methotrexate

CCRIS 1109

4-Aminomethylpteroylglutamic acid

HSDB 3123

L-(+)-N-(p-(((2,4-Diamino-6-pteridinyl)methyl)methylamino)benzoyl)glutamic acid

N-(p-(((2,4-Diamino-6-pteridinyl)methyl)methylamino)benzoyl)-L-(+)-glutamic acid

SR-01000075682

SMR000449324

EINECS 200-413-8

Metolate

Nordimet

Xatmep

AI3-25299

Antifolan hydrate

Intradose-MTX

MTX hydrate

4-Amino-N(sup 10)-methylpteroylglutamic acid

1dhi

1dhj

2drc

4ocx

(2S)-2-4-(2,4-diaminopteridin-6-yl)methyl-methyl-aminobenzoylaminopentanedioic acid

CAS-59-05-2

Glutamic acid, N-(p-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)-, L-

Kyselina N-(p-((2,4-diamino-6-pteridinylmethyl)methylamino)benzoyl)-L-glutamova

MPI-2505

Prestwick_322

Otrexup (TN)

Xatmep (TN)

folic acid antagonist

An-PDN

Kyselina 4-amino-N(sup 10)-methylpteroylglutamova Czech

Methylaminopterin; MTX

DL-Amethopterin hydrate

Methotrexate USAN:USP:INN:BAN:JAN

Spectrum_001836

Tocris-1230

4kn0

WR-19039

Methylaminopterin hydrate

Prestwick0_000135

Prestwick1_000135

Prestwick2_000135

Spectrum2_001077

Spectrum3_000497

Spectrum4_000616

Spectrum5_000958

Methotrexate - Abitrexate

N-(p-(((2,4-Diamino-6-pteridyl)methyl)methylamino)benzoyl)glutamic acid

L(+)-Amethopterin hydrate

N-(4-(((2,4-Diamino-6-pteridinyl)methyl)methylamino)benzoyl)-L-glutamicacid

NCIMech_000767

SCHEMBL3711

Kyselina N-(p-((2,4-diamino-6-pteridinylmethyl)methylamino)benzoyl)-L-glutamova Czech

BIDD:PXR0175

Lopac0_000020

KBioGR_001172

KBioSS_002341

Kyselina 4-amino-N(sup 10)-methylpteroylglutamova

MLS000049968

MLS002154208

DivK1c_000114

SPBio_001094

SPBio_002149

AMY235

cid_126941

cid_165528

GTPL4674

GTPL4815

DTXSID4020822

SCHEMBL12421860

SCHEMBL23111732

BDBM18050

BDBM66082

HMS500F16

KBio1_000114

KBio2_002338

KBio2_004906

KBio2_007474

KBio3_001493

Methotrexate (JP17/USP/INN)

AOB5585

g301

NINDS_000114

Bio1_000486

Bio1_000975

Bio1_001464

HMS1568K12

HMS2095K12

HMS2233O18

HMS3260C21

HMS3414L09

HMS3678L07

HMS3712K12

ACT03341

ADX-2191

APC-2002

BCP13701

MPI-5004

ZINC1529323

Tox21_110944

Tox21_300269

Tox21_500020

4-Amino-10-methylfolic acid hydrate

CCG-35800

EMT-25299

MFCD00064370

s1210

STL535338

(4-(((2,4-diaminopteridin-6-yl)methyl)(methyl)amino)benzoyl)-L-glutamic acid

AKOS016340329

Tox21_110944_1

ACN-050905

CS-1732

DB00563

KS-5093

LP00020

MCULE-6523054194

SDCCGSBI-0050009.P003

WR19039

IDI1_000114

N-(4-{(2,4-diaminopteridin-6-yl)methyl(methyl)amino}benzoyl)-L-glutamic acid

SMP2_000020

(methyl)amino)benzamido)pentanedioic acid

NCGC00025060-01

NCGC00025060-02

NCGC00025060-03

NCGC00025060-05

NCGC00025060-06

NCGC00025060-07

NCGC00025060-08

NCGC00025060-09

NCGC00025060-10

NCGC00025060-11

NCGC00025060-12

NCGC00025060-13

NCGC00025060-15

NCGC00025060-16

NCGC00254216-01

NCGC00260705-01

HY-14519

EU-0100020

G-301

SW198601-3

Methotrexate 1.0 mg/ml in Dimethyl Sulfoxide

1771-EP0930075A1

1771-EP2269989A1

1771-EP2269994A1

1771-EP2270001A1

1771-EP2270008A1

1771-EP2270018A1

1771-EP2270505A1

1771-EP2272825A2

1771-EP2272827A1

1771-EP2272832A1

1771-EP2275413A1

1771-EP2275420A1

1771-EP2277565A2

1771-EP2277566A2

1771-EP2277567A1

1771-EP2277568A2

1771-EP2277569A2

1771-EP2277570A2

1771-EP2277865A1

1771-EP2277876A1

1771-EP2280012A2

1771-EP2281563A1

1771-EP2281815A1

1771-EP2287156A1

1771-EP2289892A1

1771-EP2289894A2

1771-EP2292233A2

1771-EP2292280A1

1771-EP2292595A1

1771-EP2292614A1

1771-EP2292615A1

1771-EP2292617A1

1771-EP2295055A2

1771-EP2295416A2

1771-EP2295426A1

1771-EP2295427A1

1771-EP2298743A1

1771-EP2298748A2

1771-EP2298764A1

1771-EP2298765A1

1771-EP2298768A1

1771-EP2298772A1

1771-EP2298778A1

1771-EP2298780A1

1771-EP2301928A1

1771-EP2301933A1

1771-EP2305243A1

1771-EP2305640A2

1771-EP2305642A2

1771-EP2305660A1

1771-EP2305668A1

1771-EP2305671A1

1771-EP2305679A1

1771-EP2305689A1

1771-EP2308833A2

1771-EP2308839A1

1771-EP2308855A1

1771-EP2308861A1

1771-EP2311453A1

1771-EP2311807A1

1771-EP2311808A1

1771-EP2311825A1

1771-EP2311827A1

1771-EP2311829A1

1771-EP2311840A1

1771-EP2311842A2

1771-EP2311850A1

1771-EP2314590A1

1771-EP2316459A1

1771-EP2316832A1

1771-EP2316833A1

1771-EP2316834A1

1771-EP2371811A2

1771-EP2374454A1

5947-EP0930075A1

5947-EP2269994A1

5947-EP2289892A1

73M731

A10021

C01937

D00142

J10045

R-9985

DL-4-Amino-N10-methylpteroylglutamic acid hydrate

Q422232

SR-01000597411

W-60383

(S)-2-(4-(((2,4-diaminopteridin-6-yl)methyl)

Q-201366

SR-01000075682-1

SR-01000075682-2

SR-01000075682-6

SR-01000597411-1

W-105347

2,2-(9,10-anthracenediylidene)-bis-propanedinitrile

BRD-K59456551-001-09-3

BRD-K59456551-001-11-9

WLN: T66 BN DN GN JNJ CZ EZ H1N1&R DVMYVQ2VQ

Z1541638527

N,N,N,N-ETHYLENEDIAMINETETRA(METHYLENEPHOSPHONICACID)

UNII-99ITO15X8S component FBOZXECLQNJBKD-ZDUSSCGKSA-N

Methotrexate, European Pharmacopoeia (EP) Reference Standard

Methotrexate, United States Pharmacopeia (USP) Reference Standard

Glutamic acid,4-diamino-6-pteridinyl)methyl methylaminobenzoyl-, L-(+)-

L-Glutamic acid,4-diamino-6-pteridinyl)methyl- methylaminobenzoyl-

(S)-2-(4-(((2,4-Diaminopteridin-6-yl)methyl)-(methyl)amino)benzamido)pentanedioic acid

L-Glutamic acid,N-4-(2,4-diamino-6-pteridinyl)methylmethylaminobenzoyl-,hydrate(9ci)

Methotrexate for peak identification, European Pharmacopoeia (EP) Reference Standard

Methotrexate for system suitability, European Pharmacopoeia (EP) Reference Standard

Methotrexate, Pharmaceutical Secondary Standard; Certified Reference Material

N-4-(2,4-Diamino-6-pteridinyl)methyl methylaminobenzoyl-L-glutamic acid

(2S)-2-4-(2,4-diamino-6-pteridinyl)methyl-methylaminophenyl-oxomethylaminopentanedioic acid;hydrate

(2S)-2-4-(2,4-diaminopteridin-6-yl)methyl-methyl-aminobenzoylaminoglutaric acid;hydrate

(2S)-2-4-2,4-bis(azanyl)pteridin-6-ylmethyl-methyl-aminophenylcarbonylaminopentanedioic acid;hydrate

102613-64-9

70359-39-6

L-Glutamic acid,N-4-(2,4-diamino-6-pteridinyl)methylmethylaminobenzoyl-, hydrate (9CI)

Methotrexate, PharmaGrade, Manufactured under appropriate controls for use as a raw material in pharma or biopharmaceutical production, meets EP, USP testing specifications
  Experimental Data
 methotrexate

Species Dose Unit Control(Avg days) Treatment(Avg days) Avg/Med Lifespan Change(%) Control(Max days) Treatment(Max days) Max Lifespan Change(%) Significant Strain Gender PubMed Avg/Med Lifespan Change tab
Caenorhabditis elegans 33.000000000000000 umol/L -6.000000000000000 NS N2 24134630 Inactive
  Experimental Data Visualization
 methotrexate

  Statistics Data
 methotrexate

Species Avg/Med Lifespan Change(%) Max Lifespan Change(%) Count Reference Count Data point
Caenorhabditis elegans -6.000000000000000 1 1
  Statistics Data Visualization
 methotrexate

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