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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H32O2
Molecular Weight 316.4776
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CALUSTERONE

SMILES

[H][C@@]12CC[C@](C)(O)[C@@]1(C)CC[C@@]3([H])[C@@]2([H])[C@@H](C)CC4=CC(=O)CC[C@]34C

InChI

InChIKey=IVFYLRMMHVYGJH-PVPPCFLZSA-N
InChI=1S/C21H32O2/c1-13-11-14-12-15(22)5-8-19(14,2)16-6-9-20(3)17(18(13)16)7-10-21(20,4)23/h12-13,16-18,23H,5-11H2,1-4H3/t13-,16-,17-,18+,19-,20-,21-/m0/s1

HIDE SMILES / InChI

Molecular Formula C21H32O2
Molecular Weight 316.4776
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 7
E/Z Centers 0
Optical Activity UNSPECIFIED

Description

CALUSTERONE is a 17-alkylated androgenic steroid. It may alter the metabolism of estradiol and reduce estrogen production. As an androgen, CALUSTERONE was used as a therapeutic agent in postmenopausal women with metastatic breast cancer.

Originator

Approval Year

Conditions

ConditionModalityTargetsHighest PhaseProduct
Primary
Methosarb

T1/2

ValueDoseCo-administeredAnalytePopulation
24 h
100 mg single, oral
CALUSTERONE plasma
Homo sapiens

Doses

AEs

PubMed

Substance Class Chemical
Record UNII
0678G6Q58A
Record Status Validated (UNII)
Record Version