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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H23IO2
Molecular Weight 396.2786
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 16.ALPHA.-IODOESTRADIOL I-125

SMILES

[H][C@@]12C[C@@H]([125I])[C@H](O)[C@@]1(C)CC[C@]3([H])C4=C(CC[C@@]23[H])C=C(O)C=C4

InChI

InChIKey=SSYGGPAGDDGXAF-AQZLPAMRSA-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/i19-2

HIDE SMILES / InChI

Molecular Formula C18H23IO2
Molecular Weight 396.2786
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 15:06:27 GMT 2023
Edited
by admin
on Sat Dec 16 15:06:27 GMT 2023
Record UNII
QEE8L28C30
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
16.ALPHA.-IODOESTRADIOL I-125
Common Name English
16.ALPHA.-(125I)IODOESTRADIOL
Common Name English
ESTRA-1,3,5(10)-TRIENE-3,17-DIOL, 16-(IODO-125I)-, (16.ALPHA.,17.BETA.)-
Systematic Name English
16.ALPHA.-IODO-17.BETA.-ESTRADIOL-125I
Common Name English
(16.ALPHA.,17.BETA.)-16-(IODO-125I)ESTRA-1,3,5(10)-TRIENE-3,17-DIOL
Systematic Name English
Code System Code Type Description
CAS
71765-93-0
Created by admin on Sat Dec 16 15:06:27 GMT 2023 , Edited by admin on Sat Dec 16 15:06:27 GMT 2023
PRIMARY
EPA CompTox
DTXSID50992421
Created by admin on Sat Dec 16 15:06:27 GMT 2023 , Edited by admin on Sat Dec 16 15:06:27 GMT 2023
PRIMARY
PUBCHEM
153485
Created by admin on Sat Dec 16 15:06:27 GMT 2023 , Edited by admin on Sat Dec 16 15:06:27 GMT 2023
PRIMARY
FDA UNII
QEE8L28C30
Created by admin on Sat Dec 16 15:06:27 GMT 2023 , Edited by admin on Sat Dec 16 15:06:27 GMT 2023
PRIMARY
Related Record Type Details
NON-LABELED -> LABELED