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

Details

Stereochemistry ABSOLUTE
Molecular Formula C26H36O6
Molecular Weight 444.5604
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PREDNIVAL

SMILES

[H][C@@]12CC[C@](OC(=O)CCCC)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]3([H])[C@@]2([H])CCC4=CC(=O)C=C[C@]34C

InChI

InChIKey=BOFKYYWJAOZDPB-FZNHGJLXSA-N
InChI=1S/C26H36O6/c1-4-5-6-22(31)32-26(21(30)15-27)12-10-19-18-8-7-16-13-17(28)9-11-24(16,2)23(18)20(29)14-25(19,26)3/h9,11,13,18-20,23,27,29H,4-8,10,12,14-15H2,1-3H3/t18-,19-,20-,23+,24-,25-,26-/m0/s1

HIDE SMILES / InChI

Molecular Formula C26H36O6
Molecular Weight 444.5604
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 7 / 7
E/Z Centers 0
Optical Activity UNSPECIFIED

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:25:09 GMT 2023
Edited
by admin
on Fri Dec 15 15:25:09 GMT 2023
Record UNII
3NJ3X78O0C
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PREDNIVAL
MI   USAN  
USAN  
Official Name English
PREDNISOLONE VALERATE
WHO-DD  
Common Name English
(11.BETA.)-11,21-DIHYDROXY-17-((1-OXOPENTYL)OXY)PREGNA-1,4-DIENE-3,20-DIONE
Systematic Name English
PREDNISOLONE 17-VALERATE
Common Name English
Prednisolone valerate [WHO-DD]
Common Name English
PREGNA-1,4-DIENE-3,20-DIONE, 11,21-DIHYDROXY-17-((1-OXOPENTYL)OXY)-, (11.BETA.)-
Systematic Name English
PREDNIVAL [MI]
Common Name English
W 4869
Code English
W-4869
Code English
11β,17,21-Trihydroxypregna-1,4-diene-3,20-dione 17-valerate
Systematic Name English
PREDNIVAL [USAN]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C521
Created by admin on Fri Dec 15 15:25:09 GMT 2023 , Edited by admin on Fri Dec 15 15:25:09 GMT 2023
Code System Code Type Description
MERCK INDEX
m1233
Created by admin on Fri Dec 15 15:25:09 GMT 2023 , Edited by admin on Fri Dec 15 15:25:09 GMT 2023
PRIMARY Merck Index
NCI_THESAURUS
C80246
Created by admin on Fri Dec 15 15:25:09 GMT 2023 , Edited by admin on Fri Dec 15 15:25:09 GMT 2023
PRIMARY
ChEMBL
CHEMBL2104719
Created by admin on Fri Dec 15 15:25:09 GMT 2023 , Edited by admin on Fri Dec 15 15:25:09 GMT 2023
PRIMARY
CAS
15180-00-4
Created by admin on Fri Dec 15 15:25:09 GMT 2023 , Edited by admin on Fri Dec 15 15:25:09 GMT 2023
PRIMARY
PUBCHEM
9824723
Created by admin on Fri Dec 15 15:25:09 GMT 2023 , Edited by admin on Fri Dec 15 15:25:09 GMT 2023
PRIMARY
ECHA (EC/EINECS)
239-228-2
Created by admin on Fri Dec 15 15:25:09 GMT 2023 , Edited by admin on Fri Dec 15 15:25:09 GMT 2023
PRIMARY
EVMPD
SUB183129
Created by admin on Fri Dec 15 15:25:09 GMT 2023 , Edited by admin on Fri Dec 15 15:25:09 GMT 2023
PRIMARY
DRUG CENTRAL
3488
Created by admin on Fri Dec 15 15:25:09 GMT 2023 , Edited by admin on Fri Dec 15 15:25:09 GMT 2023
PRIMARY
FDA UNII
3NJ3X78O0C
Created by admin on Fri Dec 15 15:25:09 GMT 2023 , Edited by admin on Fri Dec 15 15:25:09 GMT 2023
PRIMARY
EPA CompTox
DTXSID80164876
Created by admin on Fri Dec 15 15:25:09 GMT 2023 , Edited by admin on Fri Dec 15 15:25:09 GMT 2023
PRIMARY
SMS_ID
100000169470
Created by admin on Fri Dec 15 15:25:09 GMT 2023 , Edited by admin on Fri Dec 15 15:25:09 GMT 2023
PRIMARY