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

Details

Stereochemistry ABSOLUTE
Molecular Formula C22H29Cl2O7P
Molecular Weight 507.341
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 16.ALPHA.-METHYLDICHLORISONE PHOSPHATE

SMILES

[H][C@@]12C[C@@H](C)[C@](O)(C(=O)COP(O)(O)=O)[C@@]1(C)C[C@H](Cl)[C@@]3(Cl)[C@@]2([H])CCC4=CC(=O)C=C[C@]34C

InChI

InChIKey=IWXJOGVQEPOQSU-CXSFZGCWSA-N
InChI=1S/C22H29Cl2O7P/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,24)17(23)10-20(16,3)22(12,27)18(26)11-31-32(28,29)30/h6-7,9,12,15-17,27H,4-5,8,10-11H2,1-3H3,(H2,28,29,30)/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
16.ALPHA.-METHYLDICHLORISONE PHOSPHATE
Common Name English
PREGNA-1,4-DIENE-3,20-DIONE, 9,11.BETA.-DICHLORO-17,21-DIHYDROXY-16.ALPHA.-METHYL-, 21-(DIHYDROGEN PHOSPHATE)
Common Name English
PREGNA-1,4-DIENE-3,20-DIONE, 9,11-DICHLORO-17-HYDROXY-16-METHYL-21-(PHOSPHONOOXY)-, (11.BETA.,16.ALPHA.)-
Systematic Name English
Code System Code Type Description
PUBCHEM
5351916
Created by admin on Fri Dec 15 15:03:27 GMT 2023 , Edited by admin on Fri Dec 15 15:03:27 GMT 2023
PRIMARY
CAS
18484-70-3
Created by admin on Fri Dec 15 15:03:27 GMT 2023 , Edited by admin on Fri Dec 15 15:03:27 GMT 2023
PRIMARY
FDA UNII
912U0LL2O2
Created by admin on Fri Dec 15 15:03:27 GMT 2023 , Edited by admin on Fri Dec 15 15:03:27 GMT 2023
PRIMARY