Details of the Drug

General Information of Drug (ID: DMNR6I2)

Drug Name
Asiaticoside
Synonyms Asiaticoside; Asiaticoside,(S); CHEMBL1789965; WYQVAPGDARQUBT-JVGKFWCXSA-N; 16830-15-2
Indication
Disease Entry ICD 11 Status REF
Vulnerary ND56.Z Approved [1]
Drug Type
Small molecular drug
Structure
3D MOL is unavailable 2D MOL
Chemical Identifiers
Formula
C48H78O19
Canonical SMILES
CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)CO)O)O)C)C)C2C1C)C)C(=O)OC6C(C(C(C(O6)COC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)C)O)O)O)O)O)O)O)O
InChI
1S/C48H78O19/c1-20-10-13-48(15-14-46(6)23(29(48)21(20)2)8-9-28-44(4)16-24(51)39(60)45(5,19-50)27(44)11-12-47(28,46)7)43(61)67-42-36(58)33(55)31(53)26(65-42)18-62-40-37(59)34(56)38(25(17-49)64-40)66-41-35(57)32(54)30(52)22(3)63-41/h8,20-22,24-42,49-60H,9-19H2,1-7H3/t20-,21+,22+,24-,25-,26-,27-,28-,29+,30+,31-,32-,33+,34-,35-,36-,37-,38-,39+,40-,41+,42+,44+,45+,46-,47-,48+/m1/s1
InChIKey
WYQVAPGDARQUBT-FGWHUCSPSA-N
Cross-matching ID
PubChem CID
11954171
ChEBI ID
CHEBI:79928
CAS Number
16830-15-2
UNII
PKO39VY215
DrugBank ID
DB14081
TTD ID
D0P2IT

References

1 Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015