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

Details

Stereochemistry ABSOLUTE
Molecular Formula C27H38O6
Molecular Weight 458.587
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PREDNISOLONE CAPROATE

SMILES

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

InChI

InChIKey=DNSAKUGJOSFARZ-FOMYWIRZSA-N
InChI=1S/C27H38O6/c1-4-5-6-7-23(31)33-16-22(30)27(32)13-11-20-19-9-8-17-14-18(28)10-12-25(17,2)24(19)21(29)15-26(20,27)3/h10,12,14,19-21,24,29,32H,4-9,11,13,15-16H2,1-3H3/t19-,20-,21-,24+,25-,26-,27-/m0/s1

HIDE SMILES / InChI

Molecular Formula C27H38O6
Molecular Weight 458.587
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 7 / 7
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:32:36 UTC 2023
Edited
by admin
on Sat Dec 16 09:32:36 UTC 2023
Record UNII
0PA7CJ4RFB
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PREDNISOLONE CAPROATE
WHO-DD  
Common Name English
Prednisolone caproate [WHO-DD]
Common Name English
PREDNISOLONE-21 HEXANOATE
Common Name English
PREDNISOLONE HEXANOATE
Common Name English
11.BETA.,17,21-TRIHYDROXYPREGNA-1,4-DIENE-3,20-DIONE 21-HEXANOATE
Systematic Name English
PREGNA-1,4-DIENE-3,20-DIONE, 11,17-DIHYDROXY-21-((1-OXOHEXYL)OXY)-, (11.BETA.)-
Systematic Name English
PREGNA-1,4-DIENE-3,20-DIONE, 11.BETA.,17,21-TRIHYDROXY-, 21-HEXANOATE
Systematic Name English
Code System Code Type Description
FDA UNII
0PA7CJ4RFB
Created by admin on Sat Dec 16 09:32:36 UTC 2023 , Edited by admin on Sat Dec 16 09:32:36 UTC 2023
PRIMARY
ECHA (EC/EINECS)
273-898-7
Created by admin on Sat Dec 16 09:32:36 UTC 2023 , Edited by admin on Sat Dec 16 09:32:36 UTC 2023
PRIMARY
PUBCHEM
155202
Created by admin on Sat Dec 16 09:32:36 UTC 2023 , Edited by admin on Sat Dec 16 09:32:36 UTC 2023
PRIMARY
CAS
69164-69-8
Created by admin on Sat Dec 16 09:32:36 UTC 2023 , Edited by admin on Sat Dec 16 09:32:36 UTC 2023
PRIMARY
SMS_ID
100000091081
Created by admin on Sat Dec 16 09:32:36 UTC 2023 , Edited by admin on Sat Dec 16 09:32:36 UTC 2023
PRIMARY
EVMPD
SUB04016MIG
Created by admin on Sat Dec 16 09:32:36 UTC 2023 , Edited by admin on Sat Dec 16 09:32:36 UTC 2023
PRIMARY
EPA CompTox
DTXSID301024448
Created by admin on Sat Dec 16 09:32:36 UTC 2023 , Edited by admin on Sat Dec 16 09:32:36 UTC 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY