ETHINYLESTRADIOL SULFAMATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H25NO4S
Molecular Weight	375.482
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[C@]12CC[C@H]3[C@@H](CCC4=CC(OS(N)(=O)=O)=CC=C34)[C@@H]1CC[C@@]2(O)C#C

InChI

InChIKey=FIILGZCJKYBWGS-SLHNCBLASA-N

InChI=1S/C20H25NO4S/c1-3-20(22)11-9-18-17-6-4-13-12-14(25-26(21,23)24)5-7-15(13)16(17)8-10-19(18,20)2/h1,5,7,12,16-18,22H,4,6,8-11H2,2H3,(H2,21,23,24)/t16-,17-,18+,19+,20+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C20H25NO4S
Molecular Weight	375.482
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 08:39:20 GMT 2025` Edited by `admin` on `Wed Apr 02 08:39:20 GMT 2025`
Record UNII	8MM253B4X2
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ETHINYLESTRADIOL SULFAMATE

Common Name

English

19-Norpregna-1,3,5(10)-trien-20-yne-3,17-diol, 3-sulfamate, (17?)-

Preferred Name

English

[(8R,9S,13S,14S,17R)-17-ethynyl-17-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] sulfamate

Systematic Name

English

Code System Code Type Description

PUBCHEM

9799774