U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C26H31Cl2FO6
Molecular Weight 529.425
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 9.ALPHA.,11.BETA.-DICHLORO-6.ALPHA.-FLUORO-17.ALPHA.,21-DIHYDROXY-16.ALPHA.-METHYLPREGNA-1,4-DIENE-3,20-DIONE DIACETATE

SMILES

[H][C@@]12C[C@@H](C)[C@](OC(C)=O)(C(=O)COC(C)=O)[C@@]1(C)C[C@H](Cl)[C@@]3(Cl)[C@@]2([H])C[C@H](F)C4=CC(=O)C=C[C@]34C

InChI

InChIKey=BCHYZLWTKAJUGC-YOCYGPNRSA-N
InChI=1S/C26H31Cl2FO6/c1-13-8-17-18-10-20(29)19-9-16(32)6-7-23(19,4)25(18,28)21(27)11-24(17,5)26(13,35-15(3)31)22(33)12-34-14(2)30/h6-7,9,13,17-18,20-21H,8,10-12H2,1-5H3/t13-,17+,18+,20+,21+,23+,24+,25+,26+/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
9.ALPHA.,11.BETA.-DICHLORO-6.ALPHA.-FLUORO-17.ALPHA.,21-DIHYDROXY-16.ALPHA.-METHYLPREGNA-1,4-DIENE-3,20-DIONE DIACETATE
Common Name English
PREGNA-1,4-DIENE-3,20-DIONE, 17,21-BIS(ACETYLOXY)-9,11-DICHLORO-6-FLUORO-16-METHYL-, (6.BETA.,11.BETA.,16.ALPHA.)-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID30209706
Created by admin on Sat Dec 16 10:15:52 GMT 2023 , Edited by admin on Sat Dec 16 10:15:52 GMT 2023
PRIMARY
PUBCHEM
119025986
Created by admin on Sat Dec 16 10:15:52 GMT 2023 , Edited by admin on Sat Dec 16 10:15:52 GMT 2023
PRIMARY
FDA UNII
Y4DH671GTJ
Created by admin on Sat Dec 16 10:15:52 GMT 2023 , Edited by admin on Sat Dec 16 10:15:52 GMT 2023
PRIMARY
ECHA (EC/EINECS)
262-482-0
Created by admin on Sat Dec 16 10:15:52 GMT 2023 , Edited by admin on Sat Dec 16 10:15:52 GMT 2023
PRIMARY
CAS
60864-42-8
Created by admin on Sat Dec 16 10:15:52 GMT 2023 , Edited by admin on Sat Dec 16 10:15:52 GMT 2023
PRIMARY