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Details

Stereochemistry ABSOLUTE
Molecular Formula C29H43BrO3
Molecular Weight 519.554
Optical Activity ( + )
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (7α,17β)-7-(9-Bromononyl)-estra-1,3,5(10)-triene-3,17-diol 17-acetate

SMILES

[H][C@@]12CC[C@H](OC(C)=O)[C@@]1(C)CC[C@]3([H])C4=CC=C(O)C=C4C[C@@H](CCCCCCCCCBr)[C@@]23[H]

InChI

InChIKey=KFPTYJLFIUUHEJ-LIHJZYAESA-N
InChI=1S/C29H43BrO3/c1-20(31)33-27-14-13-26-28-21(10-8-6-4-3-5-7-9-17-30)18-22-19-23(32)11-12-24(22)25(28)15-16-29(26,27)2/h11-12,19,21,25-28,32H,3-10,13-18H2,1-2H3/t21-,25-,26+,27+,28-,29+/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
(7α,17β)-7-(9-Bromononyl)-estra-1,3,5(10)-triene-3,17-diol 17-acetate
Systematic Name English
Estra-1,3,5(10)-triene-3,17-diol, 7-(9-bromononyl)-, 17-acetate, (7α,17β)-
Systematic Name English
Code System Code Type Description
PUBCHEM
70700526
Created by admin on Sat Dec 16 19:27:11 GMT 2023 , Edited by admin on Sat Dec 16 19:27:11 GMT 2023
PRIMARY
CAS
875573-66-3
Created by admin on Sat Dec 16 19:27:11 GMT 2023 , Edited by admin on Sat Dec 16 19:27:11 GMT 2023
PRIMARY
EPA CompTox
DTXSID80743347
Created by admin on Sat Dec 16 19:27:11 GMT 2023 , Edited by admin on Sat Dec 16 19:27:11 GMT 2023
PRIMARY
FDA UNII
CL8V87635T
Created by admin on Sat Dec 16 19:27:11 GMT 2023 , Edited by admin on Sat Dec 16 19:27:11 GMT 2023
PRIMARY