16.ALPHA.-IODOESTRADIOL I-123

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C18H23IO2
Molecular Weight	394.2796
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 16.ALPHA.-IODOESTRADIOL I-123

Structure Search

SMILES

[H][C@@]12C[C@@H]([123I])[C@H](O)[C@@]1(C)CC[C@]3([H])C4=C(CC[C@@]23[H])C=C(O)C=C4

InChI

InChIKey=SSYGGPAGDDGXAF-WABVTALQSA-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/i19-4

HIDE SMILES / InChI

Approval Year

Name

Type

Language

16.ALPHA.-IODOESTRADIOL I-123

Common Name

English

(16.ALPHA.,17.BETA.)-16-(IODO-123I)ESTRA-1,3,5(10)-TRIENE-3,17-DIOL

Systematic Name

English

ESTRA-1,3,5(10)-TRIENE-3,17-DIOL, 16-(IODO-123I)-, (16.ALPHA.,17.BETA.)-

Systematic Name

English

Code System Code Type Description

CAS

85853-22-1

Created by admin on Sat Dec 16 15:04:38 GMT 2023 , Edited by admin on Sat Dec 16 15:04:38 GMT 2023

PRIMARY

EPA CompTox

DTXSID401006433

Created by admin on Sat Dec 16 15:04:38 GMT 2023 , Edited by admin on Sat Dec 16 15:04:38 GMT 2023

PRIMARY

FDA UNII

YJC612NTL3

Created by admin on Sat Dec 16 15:04:38 GMT 2023 , Edited by admin on Sat Dec 16 15:04:38 GMT 2023

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PUBCHEM

158890

Created by admin on Sat Dec 16 15:04:38 GMT 2023 , Edited by admin on Sat Dec 16 15:04:38 GMT 2023

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SUBSTANCE RECORD


					YJC612NTL3

16.ALPHA.-IODOESTRADIOL I-123