ACDB Search

Compound Summary

fulvestrant

Compound Information

Fulvestrant

Compound Name:	Fulvestrant
Compound CID:	104741
Synonyms:	Fulvestrant 129453-61-8 Faslodex Ici 182780 ICI-182780 More...
Iupac Name:	(7R,8R,9S,13S,14S,17S)-13-methyl-7-[9-(4,4,5,5,5-pentafluoropentylsulfinyl)nonyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
InChI:	InChI=1S/C32H47F5O3S/c1-30-17-15-26-25-12-11-24(38)21-23(25)20-22(29(26)27(30)13-14-28(30)39)10-7-5-3-2-4-6-8-18-41(40)19-9-16-31(33,34)32(35,36)37/h11-12,21-22,26-29,38-39H,2-10,13-20H2,1H3/t22-,26-,27+,28+,29-,30+,41?/m1/s1
InChIKey:	VWUXBMIQPBEWFH-WCCTWKNTSA-N
Canonical Smiles:	CC12CCC3C(C1CCC2O)C(CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F
Isomeric Smiles:	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F
Molecular Weight:	606.8
Molecular Formula:	C32H47F5O3S

Compound Structure

2D Structure:

3D Structure:

Computed Properties

Fulvestrant

Molecular Weight:	606.8
Molecular Formula:	C32H47F5O3S
Hydrogen Bond Donor Count:	2
Hydrogen Bond Acceptor Count:	9
Rotatable Bond Count:	14
Heavy Atom Count:	41
Complexity:	854

Synonyms

Fulvestrant

Fulvestrant	Fulvestrant
Fulvestrant	129453-61-8
Faslodex	Ici 182780
ICI-182780	ICI 182,780
ZM 182780	ZM-182780
ZD-9238	ZD 182780
Fulvestrant (Faslodex)	ZD9238
(7R,8R,9S,13S,14S,17S)-13-methyl-7-9-(4,4,5,5,5-pentafluoropentylsulfinyl)nonyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopentaaphenanthrene-3,17-diol	ZD 9238
CHEMBL1358	C32H47F5O3S
(7R,8R,9S,13S,14S,17S)-13-methyl-7-(9-((4,4,5,5,5-pentafluoropentyl)sulfinyl)nonyl)-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopentaaphenanthrene-3,17-diol	CHEBI:31638
Estra-1,3,5(10)-triene-3,17-diol, 7-9-(4,4,5,5,5-pentafluoropentyl)sulfinylnonyl-, (7alpha,17beta)-	DSSTox_CID_2369
DSSTox_RID_76561	DSSTox_GSID_22369
(7R,13S,17S)-13-methyl-7-(9-(4,4,5,5,5-pentafluoropentylsulfinyl)nonyl)-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopentaaphenanthrene-3,17-diol	Faslodex (TN)
(7alpha,17beta)-7-{9-(4,4,5,5,5-pentafluoropentyl)sulfinylnonyl}estra-1(10),2,4-triene-3,17-diol	7alpha-9(4,4,5,5,5-Pentafluropentyl)sulfinylnonyl-estra-1,3,5(10)-triene-3, 17 beta diol
Estra-1,3,5(10)-triene-3,17-diol, 7-(9-((4,4,5,5,5-pentafluoropentyl)sulfinyl)nonyl)-, (7alpha,17beta)-	CAS-129453-61-8
fulvestrantum	Fluvestrant
CCRIS 8741	Faslodex(ICI 182,780)
MFCD00903953	HSDB 7658
NCGC00024964-02	(7alpha,17beta)-7-{9-(4,4,5,5,5-pentafluoropentyl)sulfinylnonyl}estra-1,3,5(10)-triene-3,17-diol
Fulvestrant USAN:USP:INN:BAN	ICI182780
7alpha-(9-((4,4,5,5,5-Pentafluoropentyl)sulfinyl)nonyl)estra-1,3,5(10)-triene-3,17beta-diol	ZD-182780
SCHEMBL8209	BIDD:PXR0136
MLS006010187	BIDD:ER0348
Fulvestrant (JAN/USP/INN)	Fulvestrant, >98% (HPLC)
GTPL1015	DTXSID4022369
EX-A959	ICI 182780- Bio-X
HMS2090N22	HMS3260G10
HMS3712A06	Tox21_110939
Tox21_202604	Tox21_303656
Tox21_500114	BDBM50169743
NSC719276	AKOS015895669
Tox21_110939_1	AC-4693
ACN-029814	BCP9000707
CCG-220082	CCG-221418
CS-1267	DB00947
LP00114	NSC 759879
NSC-719276	SDCCGSBI-0633685.P001
ICI 182 780	ICI 182,789
NCGC00164789-02	NCGC00164789-04
NCGC00257357-01	NCGC00260152-01
NCGC00260799-01	NCGC00386134-10
(7R,8S,9S,13S,14S,17S)-13-methyl-7-9-(4,4,5,5,5-pentafluoropentylsulfinyl) nonyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopentaaphenanthrene-3,17-diol	AS-13024
BI167222	H046
HY-13636	SMR001456109
BCP0726000227	AB0012854
S1191	Fulvestrant, Vetec(TM) reagent grade, >98%
D01161	AB01273957-01
AB01273957-02	AB01273957-03
AB01273957_04	453F618
J-005680	Q5508491
BRD-A85667082-001-12-7	Fulvestrant, European Pharmacopoeia (EP) Reference Standard
Fulvestrant, United States Pharmacopeia (USP) Reference Standard	Fulvestrant for system suitability, European Pharmacopoeia (EP) Reference Standard
(13S,17S)-13-Methyl-7-9-(4,4,5,5,5-pentafluoro-pentane-1-sulfinyl)-nonyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopentaaphenanthrene-3,17-diol	(7?,17?)-7-9-(4,4,5,5,5-Pentafluoropentyl)sulfinylnonylestra-1,3,5(10)-triene-3,17-diol
(7a,17b)-7-9-(4,4,5,5,5pentafluoropentyl)Sulfinylnonylestra-1,3,5(10)-triene-3,17-diol	(7R,13S,17S)-13-Methyl-7-9-(4,4,5,5,5-pentafluoro-pentane-1-sulfinyl)-nonyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopentaaphenanthrene-3,17-diol
(7R,8R,9S,13S,14S,17S)-13-methyl-7-(9-(4,4,5,5,5-pentafluoropentyldihydrosulfinyl)nonyl)-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopentaaphenanthrene-3,17-diol	(7R,8R,9S,13S,14S,17S)-13-methyl-7-(9-(4,4,5,5,5-pentafluoropentylsulfinyl)nonyl)-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopentaaphenanthrene-3,17-diol
(7R,8R,9S,13S,14S,17S)-13-Methyl-7-9-(4,4,5,5,5-pentafluoro-pentane-1-sulfinyl)-nonyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopentaaphenanthrene-3,17-diol	(7R,9S,13S,14S,17S)-13-Methyl-7-9-(4,4,5,5,5-pentafluoropentylsulfinyl)nonyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopentaaphenanthrene-3,17-diol
13-Methyl-7-9-(4,4,5,5,5-pentafluoro-pentane-1-sulfinyl)-nonyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopentaaphenanthrene-3,17-diol	13-Methyl-7-9-(4,5,5,5-pentafluoropentylsulfinyl)nonyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopentaaphenanthrene-3,17-diol
7alpha-9-(4,4,5,5,5-pentafluoro-pentylsulfinyl)nonylestra-1,3,5(10)-triene-3,17beta-diol	7alpha-9-(RS)-(4,4,5,5,5-Pentafluoropentyl)sulfinylnonylestra-1,3,5(10)-triene-3,17beta-diol
7alpha-{9-(4,4,5,5,5-pentafluoropentyl)sulfinylnonyl}estra-1(10),2,4-triene-3,17beta-diol	Estra-1,5(10)-triene-3,17-diol, 7-9-(4,4,5,5,5-pentafluoropentyl)sulfinylnonyl-, (7.alpha.,17.beta.)-

Experimental Data

Fulvestrant

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	50.000000000000000	umol/L			-0.990000000000000				NS	N2		30970250	Inactive
Caenorhabditis elegans	33.000000000000000	umol/L			-10.000000000000000				NS	N2		24134630	Inactive

Experimental Data Visualization

Fulvestrant

Statistics Data

Fulvestrant

Species	Avg/Med Lifespan Change(%)	Max Lifespan Change(%)	Count Reference	Count Data point
Caenorhabditis elegans	-0.990000000000000		2	2

Statistics Data Visualization

Fulvestrant

Compound Name:

Fulvestrant

Compound CID:

104741

Synonyms:

Fulvestrant 129453-61-8 Faslodex Ici 182780 ICI-182780 More...

Iupac Name:

(7R,8R,9S,13S,14S,17S)-13-methyl-7-[9-(4,4,5,5,5-pentafluoropentylsulfinyl)nonyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol

InChI:

InChI=1S/C32H47F5O3S/c1-30-17-15-26-25-12-11-24(38)21-23(25)20-22(29(26)27(30)13-14-28(30)39)10-7-5-3-2-4-6-8-18-41(40)19-9-16-31(33,34)32(35,36)37/h11-12,21-22,26-29,38-39H,2-10,13-20H2,1H3/t22-,26-,27+,28+,29-,30+,41?/m1/s1

InChIKey:

VWUXBMIQPBEWFH-WCCTWKNTSA-N

Canonical Smiles:

CC12CCC3C(C1CCC2O)C(CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F

Isomeric Smiles:

C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F

Molecular Weight:

606.8

Molecular Formula:

C32H47F5O3S

Molecular Weight:

606.8

Molecular Formula:

C32H47F5O3S

Hydrogen Bond Donor Count:

2

Hydrogen Bond Acceptor Count:

9

Rotatable Bond Count:

14

Heavy Atom Count:

41

Complexity:

854

Fulvestrant

129453-61-8

Faslodex

Ici 182780

ICI-182780

ICI 182,780

ZM 182780

ZM-182780

ZD-9238

ZD 182780

Fulvestrant (Faslodex)

ZD9238

(7R,8R,9S,13S,14S,17S)-13-methyl-7-9-(4,4,5,5,5-pentafluoropentylsulfinyl)nonyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopentaaphenanthrene-3,17-diol

ZD 9238

CHEMBL1358

C32H47F5O3S

(7R,8R,9S,13S,14S,17S)-13-methyl-7-(9-((4,4,5,5,5-pentafluoropentyl)sulfinyl)nonyl)-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopentaaphenanthrene-3,17-diol

CHEBI:31638

Estra-1,3,5(10)-triene-3,17-diol, 7-9-(4,4,5,5,5-pentafluoropentyl)sulfinylnonyl-, (7alpha,17beta)-

DSSTox_CID_2369

DSSTox_RID_76561

DSSTox_GSID_22369

(7R,13S,17S)-13-methyl-7-(9-(4,4,5,5,5-pentafluoropentylsulfinyl)nonyl)-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopentaaphenanthrene-3,17-diol

Faslodex (TN)

(7alpha,17beta)-7-{9-(4,4,5,5,5-pentafluoropentyl)sulfinylnonyl}estra-1(10),2,4-triene-3,17-diol

7alpha-9(4,4,5,5,5-Pentafluropentyl)sulfinylnonyl-estra-1,3,5(10)-triene-3, 17 beta diol

Estra-1,3,5(10)-triene-3,17-diol, 7-(9-((4,4,5,5,5-pentafluoropentyl)sulfinyl)nonyl)-, (7alpha,17beta)-

CAS-129453-61-8

fulvestrantum

Fluvestrant

CCRIS 8741

Faslodex(ICI 182,780)

MFCD00903953

HSDB 7658

NCGC00024964-02

(7alpha,17beta)-7-{9-(4,4,5,5,5-pentafluoropentyl)sulfinylnonyl}estra-1,3,5(10)-triene-3,17-diol

Fulvestrant USAN:USP:INN:BAN

ICI182780

7alpha-(9-((4,4,5,5,5-Pentafluoropentyl)sulfinyl)nonyl)estra-1,3,5(10)-triene-3,17beta-diol

ZD-182780

SCHEMBL8209

BIDD:PXR0136

MLS006010187

BIDD:ER0348

Fulvestrant (JAN/USP/INN)

Fulvestrant, >98% (HPLC)

Fulvestrant

129453-61-8

Faslodex

Ici 182780

ICI-182780

More...