16.ALPHA.-IODOESTRADIOL

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C18H23IO2
Molecular Weight	398.2785
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

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

InChI

InChIKey=SSYGGPAGDDGXAF-ZXXIGWHRSA-N

InChI=1S/C18H23IO2/c1-18-7-6-13-12-5-3-11(20)8-10(12)2-4-14(13)15(18)9-16(19)17(18)21/h3,5,8,13-17,20-21H,2,4,6-7,9H2,1H3/t13-,14-,15+,16-,17+,18+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C18H23IO2
Molecular Weight	398.2785
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 14:21:38 GMT 2023` Edited by `admin` on `Sat Dec 16 14:21:38 GMT 2023`
Record UNII	45FQ48B1OQ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

16.ALPHA.-IODOESTRADIOL

Common Name

English

16.ALPHA.-IODO-17.BETA.-ESTRADIOL

Common Name

English

ESTRA-1,3,5(10)-TRIENE-3,17-DIOL, 16-IODO-, (16.ALPHA.,17.BETA.)-

Systematic Name

English

(16.ALPHA.,17.BETA.)-16-IODOESTRA-1,3,5(10)-TRIENE-3,17-DIOL

Systematic Name

English

Code System Code Type Description

PUBCHEM

67087

Created by admin on Sat Dec 16 14:21:38 GMT 2023 , Edited by admin on Sat Dec 16 14:21:38 GMT 2023

PRIMARY

EPA CompTox

DTXSID00275695

Created by admin on Sat Dec 16 14:21:38 GMT 2023 , Edited by admin on Sat Dec 16 14:21:38 GMT 2023

PRIMARY

FDA UNII

45FQ48B1OQ

Created by admin on Sat Dec 16 14:21:38 GMT 2023 , Edited by admin on Sat Dec 16 14:21:38 GMT 2023

PRIMARY

CAS

71765-94-1

Created by admin on Sat Dec 16 14:21:38 GMT 2023 , Edited by admin on Sat Dec 16 14:21:38 GMT 2023

PRIMARY

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