ESTRIOL SULFAMATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C18H25NO5S
Molecular Weight	367.46
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12C[C@@H](O)[C@H](O)[C@@]1(C)CC[C@]3([H])C4=C(CC[C@@]23[H])C=C(OS(N)(=O)=O)C=C4

InChI

InChIKey=VGHIBOFCBWMZNZ-ZXXIGWHRSA-N

InChI=1S/C18H25NO5S/c1-18-7-6-13-12-5-3-11(24-25(19,22)23)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-17,20-21H,2,4,6-7,9H2,1H3,(H2,19,22,23)/t13-,14-,15+,16-,17+,18+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C18H25NO5S
Molecular Weight	367.46
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 6
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 17:31:15 UTC 2023` Edited by `admin` on `Sat Dec 16 17:31:15 UTC 2023`
Record UNII	8VUN4GN4UP
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ESTRIOL SULFAMATE

Common Name

English

Estra-1,3,5(10)-triene-3,16,17-triol, 3-sulfamate, (16α,17β)-

Systematic Name

English

[(8R,9S,13S,14S,16R,17R)-16,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] sulfamate

Systematic Name

English

Code System Code Type Description

FDA UNII

8VUN4GN4UP