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

Details

Stereochemistry ABSOLUTE
Molecular Formula C21H28O6
Molecular Weight 376.4434
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of OXISOPRED

SMILES

[H][C@@]12CC[C@](O)(C(=O)OC)[C@@]1(C)C[C@H](O)[C@@]3([H])[C@@]2([H])CCC(O)=C4C(=O)C=C[C@]34C

InChI

InChIKey=YPDOISWMNZRMGQ-LAKLPRICSA-N
InChI=1S/C21H28O6/c1-19-8-7-14(23)17(19)13(22)5-4-11-12-6-9-21(26,18(25)27-3)20(12,2)10-15(24)16(11)19/h7-8,11-12,15-16,22,24,26H,4-6,9-10H2,1-3H3/t11-,12-,15-,16+,19+,20-,21-/m0/s1

HIDE SMILES / InChI

Molecular Formula C21H28O6
Molecular Weight 376.4434
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 15:43:54 GMT 2023
Edited
by admin
on Fri Dec 15 15:43:54 GMT 2023
Record UNII
0C39YBM73T
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
OXISOPRED
INN  
INN  
Official Name English
C-41228
Code English
oxisopred [INN]
Common Name English
1H-INDENO(5,4-E)AZULEN-1-ONE, 3A,3B,4,5,5A,6,7,8,8A,8B,9,10-DODECAHYDRO-4,6,11-TRIHYDROXY-6-(HYDROXYACETYL)-3A,5A-DIMETHYL-, (3AR,3BS,4S,5AS,6R,8AS,8BS)-
Systematic Name English
B-HOMO-A-NORPREGNA-1,5-DIENE-3,20-DIONE, 6,11,17,21-TETRAHYDROXY-, (11.BETA.)-
Common Name English
C-41-228
Code English
11.BETA.,17,21-TRIHYDROXY-B-HOMO-A-NORPREGN-1-ENE-3,6,20-TRIONE
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C521
Created by admin on Fri Dec 15 15:43:54 GMT 2023 , Edited by admin on Fri Dec 15 15:43:54 GMT 2023
Code System Code Type Description
PUBCHEM
76972920
Created by admin on Fri Dec 15 15:43:54 GMT 2023 , Edited by admin on Fri Dec 15 15:43:54 GMT 2023
PRIMARY
EPA CompTox
DTXSID001043186
Created by admin on Fri Dec 15 15:43:54 GMT 2023 , Edited by admin on Fri Dec 15 15:43:54 GMT 2023
PRIMARY
CAS
18118-80-4
Created by admin on Fri Dec 15 15:43:54 GMT 2023 , Edited by admin on Fri Dec 15 15:43:54 GMT 2023
PRIMARY
FDA UNII
0C39YBM73T
Created by admin on Fri Dec 15 15:43:54 GMT 2023 , Edited by admin on Fri Dec 15 15:43:54 GMT 2023
PRIMARY
SMS_ID
100000083067
Created by admin on Fri Dec 15 15:43:54 GMT 2023 , Edited by admin on Fri Dec 15 15:43:54 GMT 2023
PRIMARY
WIKIPEDIA
Oxisopred
Created by admin on Fri Dec 15 15:43:54 GMT 2023 , Edited by admin on Fri Dec 15 15:43:54 GMT 2023
PRIMARY
CAS
35581-79-4
Created by admin on Fri Dec 15 15:43:54 GMT 2023 , Edited by admin on Fri Dec 15 15:43:54 GMT 2023
ALTERNATIVE
EVMPD
SUB09538MIG
Created by admin on Fri Dec 15 15:43:54 GMT 2023 , Edited by admin on Fri Dec 15 15:43:54 GMT 2023
PRIMARY
INN
3357
Created by admin on Fri Dec 15 15:43:54 GMT 2023 , Edited by admin on Fri Dec 15 15:43:54 GMT 2023
PRIMARY
NCI_THESAURUS
C66272
Created by admin on Fri Dec 15 15:43:54 GMT 2023 , Edited by admin on Fri Dec 15 15:43:54 GMT 2023
PRIMARY
ChEMBL
CHEMBL2105469
Created by admin on Fri Dec 15 15:43:54 GMT 2023 , Edited by admin on Fri Dec 15 15:43:54 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY