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Details

Stereochemistry EPIMERIC
Molecular Formula C32H47F5O3S
Molecular Weight 606.771
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of FULVESTRANT

SMILES

[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]3([H])C4=C(C[C@@H](CCCCCCCCC[S+]([O-])CCCC(F)(F)C(F)(F)F)[C@@]23[H])C=C(O)C=C4

InChI

InChIKey=VWUXBMIQPBEWFH-WCCTWKNTSA-N
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

HIDE SMILES / InChI
Molecular Formula C32H47F5O3S
Molecular Weight 606.771
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Unknown
123738
Substance Class Chemical
Created
by admin
on Fri Dec 15 15:51:42 UTC 2023
Edited
by admin
on Fri Dec 15 15:51:42 UTC 2023
Record UNII
22X328QOC4
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
FULVESTRANT
EMA EPAR   HSDB   INN   JAN   MART.   MI   ORANGE BOOK   USAN   USP   USP-RS   VANDF   WHO-DD  
USAN   INN  
Official Name English
FULVESTRANT [MART.]
Common Name English
ZD-9238
Code English
FULVESTRANT [MI]
Common Name English
FULVESTRANT [USP-RS]
Common Name English
FULVESTRANT [VANDF]
Common Name English
FULVESTRANT [USP IMPURITY]
Common Name English
Fulvestrant [WHO-DD]
Common Name English
FASLODEX
Brand Name English
ICI-182780
Code English
FULVESTRANT [JAN]
Common Name English
FULVESTRANT [ORANGE BOOK]
Common Name English
NSC-759879
Code English
FULVESTRANT [USP MONOGRAPH]
Common Name English
ESTRA-1,3,5(10)-TRIENE-3,17-DIOL, 7-(9-((4,4,5,5,5-PENTAFLUOROPENTYL)SULFINYL)NONYL)-, (7.ALPHA.,17.BETA.)-
Systematic Name English
fulvestrant [INN]
Common Name English
ZD9238
Code English
ICI 182,780
Code English
FULVESTRANT [EP MONOGRAPH]
Common Name English
FULVESTRANT [EMA EPAR]
Common Name English
7.ALPHA.-(9-(4,4,5,5,5-PENTAFLUOROPENTYLSULPHINYL)NONYL)ESTRA-1,3,5(10)-TRIENE-3,17.BETA.-DIOL
Systematic Name English
FULVESTRANT [USAN]
Common Name English
Classification Tree Code System Code
WHO-VATC QL02BA03
Created by admin on Fri Dec 15 15:51:42 UTC 2023 , Edited by admin on Fri Dec 15 15:51:42 UTC 2023
LIVERTOX NBK548072
Created by admin on Fri Dec 15 15:51:42 UTC 2023 , Edited by admin on Fri Dec 15 15:51:42 UTC 2023
NDF-RT N0000175582
Created by admin on Fri Dec 15 15:51:42 UTC 2023 , Edited by admin on Fri Dec 15 15:51:42 UTC 2023
NCI_THESAURUS C2116
Created by admin on Fri Dec 15 15:51:42 UTC 2023 , Edited by admin on Fri Dec 15 15:51:42 UTC 2023
NDF-RT N0000000168
Created by admin on Fri Dec 15 15:51:42 UTC 2023 , Edited by admin on Fri Dec 15 15:51:42 UTC 2023
WHO-ATC L02BA03
Created by admin on Fri Dec 15 15:51:42 UTC 2023 , Edited by admin on Fri Dec 15 15:51:42 UTC 2023
NDF-RT N0000175826
Created by admin on Fri Dec 15 15:51:42 UTC 2023 , Edited by admin on Fri Dec 15 15:51:42 UTC 2023
EMA ASSESSMENT REPORTS FASLODEX (AUTHORIZED: BREAST NEOPLASMS)
Created by admin on Fri Dec 15 15:51:42 UTC 2023 , Edited by admin on Fri Dec 15 15:51:42 UTC 2023
Code System Code Type Description
HSDB
7658
Created by admin on Fri Dec 15 15:51:42 UTC 2023 , Edited by admin on Fri Dec 15 15:51:42 UTC 2023
PRIMARY
NDF-RT
N0000000145
Created by admin on Fri Dec 15 15:51:42 UTC 2023 , Edited by admin on Fri Dec 15 15:51:42 UTC 2023
PRIMARY Estrogen Receptor Antagonists [MoA]
DRUG CENTRAL
1255
Created by admin on Fri Dec 15 15:51:42 UTC 2023 , Edited by admin on Fri Dec 15 15:51:42 UTC 2023
PRIMARY
DRUG BANK
DB00947
Created by admin on Fri Dec 15 15:51:42 UTC 2023 , Edited by admin on Fri Dec 15 15:51:42 UTC 2023
PRIMARY
FDA UNII
22X328QOC4
Created by admin on Fri Dec 15 15:51:42 UTC 2023 , Edited by admin on Fri Dec 15 15:51:42 UTC 2023
PRIMARY
RXCUI
282357
Created by admin on Fri Dec 15 15:51:42 UTC 2023 , Edited by admin on Fri Dec 15 15:51:42 UTC 2023
PRIMARY RxNorm
NSC
759879
Created by admin on Fri Dec 15 15:51:42 UTC 2023 , Edited by admin on Fri Dec 15 15:51:42 UTC 2023
PRIMARY
NCI_THESAURUS
C1379
Created by admin on Fri Dec 15 15:51:42 UTC 2023 , Edited by admin on Fri Dec 15 15:51:42 UTC 2023
PRIMARY
DAILYMED
22X328QOC4
Created by admin on Fri Dec 15 15:51:42 UTC 2023 , Edited by admin on Fri Dec 15 15:51:42 UTC 2023
PRIMARY
SMS_ID
100000089504
Created by admin on Fri Dec 15 15:51:42 UTC 2023 , Edited by admin on Fri Dec 15 15:51:42 UTC 2023
PRIMARY
INN
7712
Created by admin on Fri Dec 15 15:51:42 UTC 2023 , Edited by admin on Fri Dec 15 15:51:42 UTC 2023
PRIMARY
USAN
KK-128
Created by admin on Fri Dec 15 15:51:42 UTC 2023 , Edited by admin on Fri Dec 15 15:51:42 UTC 2023
PRIMARY
CHEBI
31638
Created by admin on Fri Dec 15 15:51:42 UTC 2023 , Edited by admin on Fri Dec 15 15:51:42 UTC 2023
PRIMARY
CAS
129453-61-8
Created by admin on Fri Dec 15 15:51:42 UTC 2023 , Edited by admin on Fri Dec 15 15:51:42 UTC 2023
PRIMARY
EVMPD
SUB13933MIG
Created by admin on Fri Dec 15 15:51:42 UTC 2023 , Edited by admin on Fri Dec 15 15:51:42 UTC 2023
PRIMARY
WIKIPEDIA
FULVESTRANT
Created by admin on Fri Dec 15 15:51:42 UTC 2023 , Edited by admin on Fri Dec 15 15:51:42 UTC 2023
PRIMARY
PUBCHEM
104741
Created by admin on Fri Dec 15 15:51:42 UTC 2023 , Edited by admin on Fri Dec 15 15:51:42 UTC 2023
PRIMARY
RS_ITEM_NUM
1286650
Created by admin on Fri Dec 15 15:51:42 UTC 2023 , Edited by admin on Fri Dec 15 15:51:42 UTC 2023
PRIMARY
IUPHAR
1015
Created by admin on Fri Dec 15 15:51:42 UTC 2023 , Edited by admin on Fri Dec 15 15:51:42 UTC 2023
PRIMARY
MERCK INDEX
m5583
Created by admin on Fri Dec 15 15:51:42 UTC 2023 , Edited by admin on Fri Dec 15 15:51:42 UTC 2023
PRIMARY Merck Index
ChEMBL
CHEMBL1358
Created by admin on Fri Dec 15 15:51:42 UTC 2023 , Edited by admin on Fri Dec 15 15:51:42 UTC 2023
PRIMARY
EPA CompTox
DTXSID4022369
Created by admin on Fri Dec 15 15:51:42 UTC 2023 , Edited by admin on Fri Dec 15 15:51:42 UTC 2023
PRIMARY
MESH
C070081
Created by admin on Fri Dec 15 15:51:42 UTC 2023 , Edited by admin on Fri Dec 15 15:51:42 UTC 2023
PRIMARY
Related Record Type Details
Structure of FULVESTRANT
BASIS OF STRENGTH->SUBSTANCE
ASSAY (HPLC)
USP
Structure of FULVESTRANT
BASIS OF STRENGTH->SUBSTANCE
ASSAY (HPLC)
EP
ESTROGEN RECEPTOR
TARGET -> INHIBITOR
IC50
ESTROGEN RECEPTOR
TARGET -> INHIBITOR
Selective estrogen receptor degrader (SERD)
BINDING
IC50
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BINDER->LIGAND
BINDING
ESTROGEN RECEPTOR BETA
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CYTOCHROME P450 3A4
METABOLIC ENZYME -> SUBSTRATE
MCF-7 Cell Line
CELL->INHIBITOR
Viablity
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ESTROGEN RECEPTOR
TARGET->DEGRADER, SELECTIVE
100% Degradation as control
EC50
ESTROGEN RECEPTOR
TARGET->DEGRADER, SELECTIVE
Selective estrogen receptor degrader (SERD)
BINDING
IC50
Related Record Type Details
Structure of FULVESTRANT 3-.BETA.-D-GLUCURONIDE
METABOLITE -> PARENT
Structure of FULVESTRANT SULFONE
METABOLITE -> PARENT
Structure of FULVESTRANT 3-SULFATE
METABOLITE -> PARENT
Structure of FULVESTRANT 17-KETONE
METABOLITE LESS ACTIVE -> PARENT
Structure of FULVESTRANT 17-.BETA.-D-GLUCURONIDE
METABOLITE -> PARENT
Structure of ZB-716
PARENT -> METABOLITE ACTIVE
Related Record Type Details
Structure of .DELTA.6,7-FULVESTRANT
IMPURITY -> PARENT
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
Structure of 7-(9-((9-((4,4,5,5,5-PENTAFLUOROPENTYL)SULFINYL)NONYL)SULFINYL)NONYL)ESTRA-1,3,5(10)-TRIENE-3,17.BETA.-DIOL
IMPURITY -> PARENT
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
Structure of 7-(9-((4,4,5,5,5-PENTAFLUOROPENTYL)SULFINYL)NONYL)-3,17.BETA.-DIHYDROXYESTRA-1,3,5(10)-TRIEN-6-ONE
IMPURITY -> PARENT
For the calculation of contents, multiply the peak areas by 0.3
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
Structure of FULVESTRANT SULFONE
IMPURITY -> PARENT
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
Structure of 6-KETO-FULVESTRANT
IMPURITY -> PARENT
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
Structure of ESTRA-1,3,5(10)-TRIENE-3,17-DIOL,7-(9-(9-((4,4,5,5,5-PENTAFLUOROPENTYL)SULFINYL)NONYLSULFINYL)NONYL), (7.ALPHA.,17.BETA.)-
IMPURITY -> PARENT
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
Structure of 7,7'-NONANE-1,9-DIYLBIS(ESTRA-1,3,5(10)-TRIENE-3,17.BETA.-DIOL)
IMPURITY -> PARENT
For the calculation of contents, multiply the peak areas by 0.7
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
Structure of 7,7-NONAMETHYLENE-BIS(ESTRA-1,3,5(10)-TRIENE-3,17-DIOL),(7.ALPHA.,17.BETA.)-
IMPURITY -> PARENT
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
Structure of FULVESTRANT SULFONE
IMPURITY -> PARENT
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
Related Record Type Details
Structure of FULVESTRANT
ACTIVE MOIETY
Name Property Type Amount Referenced Substance Defining Parameters References
Biological Half-life PHARMACOKINETIC
Volume of Distribution PHARMACOKINETIC
NIH
NCATS
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