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

Details

Stereochemistry ABSOLUTE
Molecular Formula C24H27O9.Na
Molecular Weight 482.4555
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of OMTRIPTOLIDE SODIUM

SMILES

[Na+].[H][C@]12C[C@@]3([H])C4=C(CC[C@]3(C)[C@]56O[C@@]5([H])[C@]7([H])O[C@]7(C(C)C)[C@@H](OC(=O)CCC([O-])=O)[C@]16O2)C(=O)OC4

InChI

InChIKey=GLBMIEFQNYULDO-UFZHVSJGSA-M
InChI=1S/C24H28O9.Na/c1-10(2)22-17(32-22)18-24(33-18)21(3)7-6-11-12(9-29-19(11)28)13(21)8-14-23(24,31-14)20(22)30-16(27)5-4-15(25)26;/h10,13-14,17-18,20H,4-9H2,1-3H3,(H,25,26);/q;+1/p-1/t13-,14-,17-,18-,20+,21-,22-,23+,24+;/m0./s1

HIDE SMILES / InChI

Approval Year

Name Type Language
OMTRIPTOLIDE SODIUM
USAN   WHO-DD  
USAN  
Official Name English
PG-490-88NA
Code English
OMTRIPTOLIDE SODIUM [USAN]
Common Name English
PG490-88NA
Code English
Sodium 4-[(3bS,4aS,5aR,6R,6aS,7aS,7bS,8aS,8bS)-8b-methyl-6a-(1-methylethyl)-1-oxo-1,3,3b,4,4a,6,6a,7a,7b,8b,9,10-dodecahydrotrisoxireno[4b,5:6,7:8a,9]phenanthro[1,2-c]furan-6-yl]-4-oxobutanoate
Common Name English
TRIPTOLIDE 14-SUCCINYL TRIPTOLIDE SODIUM SALT [MI]
Common Name English
TRIPTOLIDE 14-SUCCINYL TRIPTOLIDE SODIUM SALT
MI  
Common Name English
BUTANEDIOIC ACID, MONO((3BS,4AS,5AR,6R,6AS,7AS,7BS,8AS,8BS)-1,3,3B,4,4A,6,6A,7A,7B,8B,9,10-DODECAHYDRO-8B-METHYL-6A-(1-METHYLETHYL)-1-OXOTRISOXIRENO(4B,5:6,7:8A,9)PHENANTHRO(1,2-C)FURAN-6-YL)ESTER, SODIUM SALT
Common Name English
Omtriptolide sodium [WHO-DD]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C308
Created by admin on Fri Dec 15 16:08:49 UTC 2023 , Edited by admin on Fri Dec 15 16:08:49 UTC 2023
Code System Code Type Description
ChEMBL
CHEMBL2110669
Created by admin on Fri Dec 15 16:08:49 UTC 2023 , Edited by admin on Fri Dec 15 16:08:49 UTC 2023
PRIMARY
FDA UNII
PVH9FQC04V
Created by admin on Fri Dec 15 16:08:49 UTC 2023 , Edited by admin on Fri Dec 15 16:08:49 UTC 2023
PRIMARY
SMS_ID
300000044564
Created by admin on Fri Dec 15 16:08:49 UTC 2023 , Edited by admin on Fri Dec 15 16:08:49 UTC 2023
PRIMARY
CAS
195883-09-1
Created by admin on Fri Dec 15 16:08:49 UTC 2023 , Edited by admin on Fri Dec 15 16:08:49 UTC 2023
PRIMARY
MERCK INDEX
m11193
Created by admin on Fri Dec 15 16:08:49 UTC 2023 , Edited by admin on Fri Dec 15 16:08:49 UTC 2023
PRIMARY Merck Index
NCI_THESAURUS
C81671
Created by admin on Fri Dec 15 16:08:49 UTC 2023 , Edited by admin on Fri Dec 15 16:08:49 UTC 2023
PRIMARY
EPA CompTox
DTXSID70941355
Created by admin on Fri Dec 15 16:08:49 UTC 2023 , Edited by admin on Fri Dec 15 16:08:49 UTC 2023
PRIMARY
USAN
RR-107
Created by admin on Fri Dec 15 16:08:49 UTC 2023 , Edited by admin on Fri Dec 15 16:08:49 UTC 2023
PRIMARY
PUBCHEM
23663419
Created by admin on Fri Dec 15 16:08:49 UTC 2023 , Edited by admin on Fri Dec 15 16:08:49 UTC 2023
PRIMARY