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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H24O2
Molecular Weight 296.4034
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of EXEMESTANE

SMILES

[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]3([H])[C@@]2([H])CC(=C)C4=CC(=O)C=C[C@]34C

InChI

InChIKey=BFYIZQONLCFLEV-DAELLWKTSA-N
InChI=1S/C20H24O2/c1-12-10-14-15-4-5-18(22)20(15,3)9-7-16(14)19(2)8-6-13(21)11-17(12)19/h6,8,11,14-16H,1,4-5,7,9-10H2,2-3H3/t14-,15-,16-,19+,20-/m0/s1

HIDE SMILES / InChI
Molecular Formula C20H24O2
Molecular Weight 296.4034
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Unknown
86413
Substance Class Chemical
Created
by admin
on Sat Dec 16 17:25:02 UTC 2023
Edited
by admin
on Sat Dec 16 17:25:02 UTC 2023
Record UNII
NY22HMQ4BX
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
EXEMESTANE
HSDB   INN   JAN   MART.   MI   ORANGE BOOK   USAN   USP-RS   VANDF   WHO-DD  
USAN   INN  
Official Name English
EXEMESTANE [ORANGE BOOK]
Common Name English
FCE-24304
Code English
EXEMESTANE [USP-RS]
Common Name English
Exemestane [WHO-DD]
Common Name English
exemestane [INN]
Common Name English
EXEMESTANE [VANDF]
Common Name English
EXEMESTANE [JAN]
Common Name English
EXEMESTANE [USP MONOGRAPH]
Common Name English
EXEMESTANE [USAN]
Common Name English
EXEMESTANE [MI]
Common Name English
ANDROSTA-1,4-DIENE-3,17-DIONE, 6-METHYLENE-
Systematic Name English
NSC-758907
Code English
EXEMESTANE [MART.]
Common Name English
EXEMESTANE [HSDB]
Common Name English
EXEMESTANE [EP MONOGRAPH]
Common Name English
6-Methyleneandrosta-1,4-diene-3,17-dione
Systematic Name English
AROMASIN
Brand Name English
FCE24304
Code English
PNU-155971
Code English
Classification Tree Code System Code
LIVERTOX NBK548926
Created by admin on Sat Dec 16 17:25:05 UTC 2023 , Edited by admin on Sat Dec 16 17:25:05 UTC 2023
NDF-RT N0000175080
Created by admin on Sat Dec 16 17:25:05 UTC 2023 , Edited by admin on Sat Dec 16 17:25:05 UTC 2023
WHO-VATC QL02BG06
Created by admin on Sat Dec 16 17:25:05 UTC 2023 , Edited by admin on Sat Dec 16 17:25:05 UTC 2023
FDA ORPHAN DRUG 60191
Created by admin on Sat Dec 16 17:25:05 UTC 2023 , Edited by admin on Sat Dec 16 17:25:05 UTC 2023
WHO-ATC L02BG06
Created by admin on Sat Dec 16 17:25:05 UTC 2023 , Edited by admin on Sat Dec 16 17:25:05 UTC 2023
NDF-RT N0000175563
Created by admin on Sat Dec 16 17:25:05 UTC 2023 , Edited by admin on Sat Dec 16 17:25:05 UTC 2023
NCI_THESAURUS C2017
Created by admin on Sat Dec 16 17:25:05 UTC 2023 , Edited by admin on Sat Dec 16 17:25:05 UTC 2023
Code System Code Type Description
EPA CompTox
DTXSID5023037
Created by admin on Sat Dec 16 17:25:05 UTC 2023 , Edited by admin on Sat Dec 16 17:25:05 UTC 2023
PRIMARY
PUBCHEM
60198
Created by admin on Sat Dec 16 17:25:05 UTC 2023 , Edited by admin on Sat Dec 16 17:25:05 UTC 2023
PRIMARY
ChEMBL
CHEMBL1200374
Created by admin on Sat Dec 16 17:25:05 UTC 2023 , Edited by admin on Sat Dec 16 17:25:05 UTC 2023
PRIMARY
INN
6770
Created by admin on Sat Dec 16 17:25:05 UTC 2023 , Edited by admin on Sat Dec 16 17:25:05 UTC 2023
PRIMARY
WIKIPEDIA
EXEMESTANE
Created by admin on Sat Dec 16 17:25:05 UTC 2023 , Edited by admin on Sat Dec 16 17:25:05 UTC 2023
PRIMARY
HSDB
7463
Created by admin on Sat Dec 16 17:25:05 UTC 2023 , Edited by admin on Sat Dec 16 17:25:05 UTC 2023
PRIMARY
IUPHAR
7073
Created by admin on Sat Dec 16 17:25:05 UTC 2023 , Edited by admin on Sat Dec 16 17:25:05 UTC 2023
PRIMARY
DRUG BANK
DB00990
Created by admin on Sat Dec 16 17:25:05 UTC 2023 , Edited by admin on Sat Dec 16 17:25:05 UTC 2023
PRIMARY
MERCK INDEX
m5224
Created by admin on Sat Dec 16 17:25:05 UTC 2023 , Edited by admin on Sat Dec 16 17:25:05 UTC 2023
PRIMARY Merck Index
DAILYMED
NY22HMQ4BX
Created by admin on Sat Dec 16 17:25:05 UTC 2023 , Edited by admin on Sat Dec 16 17:25:05 UTC 2023
PRIMARY
CHEBI
4953
Created by admin on Sat Dec 16 17:25:05 UTC 2023 , Edited by admin on Sat Dec 16 17:25:05 UTC 2023
PRIMARY
RXCUI
258494
Created by admin on Sat Dec 16 17:25:05 UTC 2023 , Edited by admin on Sat Dec 16 17:25:05 UTC 2023
PRIMARY RxNorm
USAN
LL-46
Created by admin on Sat Dec 16 17:25:05 UTC 2023 , Edited by admin on Sat Dec 16 17:25:05 UTC 2023
PRIMARY
NCI_THESAURUS
C1097
Created by admin on Sat Dec 16 17:25:05 UTC 2023 , Edited by admin on Sat Dec 16 17:25:05 UTC 2023
PRIMARY
CAS
107868-30-4
Created by admin on Sat Dec 16 17:25:05 UTC 2023 , Edited by admin on Sat Dec 16 17:25:05 UTC 2023
PRIMARY
EVMPD
SUB07492MIG
Created by admin on Sat Dec 16 17:25:05 UTC 2023 , Edited by admin on Sat Dec 16 17:25:05 UTC 2023
PRIMARY
LACTMED
Exemestane
Created by admin on Sat Dec 16 17:25:05 UTC 2023 , Edited by admin on Sat Dec 16 17:25:05 UTC 2023
PRIMARY
SMS_ID
100000092298
Created by admin on Sat Dec 16 17:25:05 UTC 2023 , Edited by admin on Sat Dec 16 17:25:05 UTC 2023
PRIMARY
FDA UNII
NY22HMQ4BX
Created by admin on Sat Dec 16 17:25:05 UTC 2023 , Edited by admin on Sat Dec 16 17:25:05 UTC 2023
PRIMARY
RS_ITEM_NUM
1269050
Created by admin on Sat Dec 16 17:25:05 UTC 2023 , Edited by admin on Sat Dec 16 17:25:05 UTC 2023
PRIMARY
NSC
758907
Created by admin on Sat Dec 16 17:25:05 UTC 2023 , Edited by admin on Sat Dec 16 17:25:05 UTC 2023
PRIMARY
MESH
C056516
Created by admin on Sat Dec 16 17:25:05 UTC 2023 , Edited by admin on Sat Dec 16 17:25:05 UTC 2023
PRIMARY
DRUG CENTRAL
1122
Created by admin on Sat Dec 16 17:25:05 UTC 2023 , Edited by admin on Sat Dec 16 17:25:05 UTC 2023
PRIMARY
Related Record Type Details
CYTOCHROME P450 1A1
METABOLIC ENZYME -> SUBSTRATE
CYTOCHROME P450 2B6
METABOLIC ENZYME -> SUBSTRATE
Structure of 17-DIHYDROEXEMESTANE
DERIVATIVE -> PARENT
PLASMA; URINE
Structure of EXEMESTANE
EXCRETED UNCHANGED
URINE
CYTOCHROME P450 4A11
METABOLIC ENZYME -> SUBSTRATE
CYTOCHROME P450 3A4
METABOLIC ENZYME -> SUBSTRATE
MAJOR
PLASMA PROTEIN FRACTION (HUMAN)
BINDER->LIGAND
BINDING
Structure of 17-DIHYDROEXEMESTANE
DERIVATIVE -> PARENT
CYTOCHROME P450 3A5
METABOLIC ENZYME -> SUBSTRATE
CYTOCHROME P450 1A2
METABOLIC ENZYME -> SUBSTRATE
Related Record Type Details
Structure of EXEMESTANE-17-O-GLUCURONIDE
METABOLITE -> PARENT
Structure of 6-HYDROXYMETHYLANDROSTA-1,4-DIENE-3,17-DIONE
METABOLITE -> PARENT
Structure of (17.BETA.)-6,17-DIHYDROXY-6-(HYDROXYMETHYL)ANDROSTA-1,4-DIEN-3-ONE
METABOLITE -> PARENT
Structure of (2R)-2-AMINO-3-(((8R,9S,10R,13S,14S)-10,13-DIMETHYL-3,17-DIOXO-7,8,9,11,12,14,15,16-OCTAHYDRO-6H-CYCLOPENTA(A)PHENANTHREN-6-YL)METHYLSULFANYL)PROPANOIC ACID
METABOLITE -> PARENT
MAJOR
PLASMA; URINE
Structure of 17-DIHYDROEXEMESTANE
METABOLITE -> PARENT
MAJOR
PLASMA; URINE
Structure of (2R)-2-AMINO-3-(((8R,9S,10R,13S,14S,17S)-17-HYDROXY-10,13-DIMETHYL-3-OXO-6,7,8,9,11,12,14,15,16,17-DECAHYDROCYCLOPENTA(A)PHENANTHREN-6-YL)METHYLSULFANYL)PROPANOIC ACID
METABOLITE -> PARENT
PLASMA; URINE
Related Record Type Details
Structure of 6-Methyleneandrost-4-en-3,17-dione
IMPURITY -> PARENT
Structure of 6-HYDROXYMETHYLANDROSTA-1,4-DIENE-3,17-DIONE
IMPURITY -> PARENT
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
Structure of 6-Methylidene-3-oxoandrosta-1,4-dien-17β-yl formate
IMPURITY -> PARENT
Structure of 6-Oxo Boldione
IMPURITY -> PARENT
Structure of 16-METHYLENEANDROSTA-1,4-DIENE-3,17-DIONE
IMPURITY -> PARENT
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
Structure of 17-DIHYDROEXEMESTANE
IMPURITY -> PARENT
Structure of BOLDIONE
IMPURITY -> PARENT
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
Structure of 6-Hydroxy-6-(hydroxymethyl)androsta-1,4-diene-3,17-dione
IMPURITY -> PARENT
Structure of 6-Methylidene-3-oxoandrosta-1,4-dien-17β-yl acetate
IMPURITY -> PARENT
Related Record Type Details
Structure of EXEMESTANE
ACTIVE MOIETY
Name Property Type Amount Referenced Substance Defining Parameters References
Tmax PHARMACOKINETIC ORAL ADMINISTRATION

IN THE HEALTHY WOMEN

Biological Half-life PHARMACOKINETIC ORAL ADMINISTRATION

Tmax PHARMACOKINETIC ORAL ADMINISTRATION

IN THE WOMEN WITH BREAST CANCER

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