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

Details

Stereochemistry ACHIRAL
Molecular Formula C24H31NO4.C9H10N4O4
Molecular Weight 635.7086
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DROTAVERINE ACEPHYLLINATE

SMILES

CCOc1ccc(CC2=NCCc3cc(c(cc32)OCC)OCC)cc1OCC.Cn1c2c(c(=O)n(C)c1=O)n(CC(=O)O)cn2

InChI

InChIKey=OUKQYSCCWVCDKU-UHFFFAOYSA-N
InChI=1S/C24H31NO4.C9H10N4O4/c1-5-26-21-10-9-17(14-22(21)27-6-2)13-20-19-16-24(29-8-4)23(28-7-3)15-18(19)11-12-25-20;1-11-7-6(8(16)12(2)9(11)17)13(4-10-7)3-5(14)15/h9-10,14-16H,5-8,11-13H2,1-4H3;4H,3H2,1-2H3,(H,14,15)

HIDE SMILES / InChI

Molecular Formula C9H10N4O4
Molecular Weight 238.2005
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C24H31NO4
Molecular Weight 397.5081
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 06:19:59 UTC 2021
Edited
by admin
on Sat Jun 26 06:19:59 UTC 2021
Record UNII
4AN25F4W2P
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DROTAVERINE ACEPHYLLINATE
MI  
Common Name English
DROTAVERINE ACEPHYLLINATE [MI]
Common Name English
7H-PURINE-7-ACETIC ACID, 1,2,3,6-TETRAHYDRO-1,3-DIMETHYL-2,6-DIOXO-, COMPD. WITH 1-((3,4-DIETHOXYPHENYL)METHYL)-6,7-DIETHOXY-3,4-DIHYDROISOQUINOLINE (1:1)
Systematic Name English
DRA
Common Name English
Code System Code Type Description
FDA UNII
4AN25F4W2P
Created by admin on Sat Jun 26 06:19:59 UTC 2021 , Edited by admin on Sat Jun 26 06:19:59 UTC 2021
PRIMARY
PUBCHEM
124905
Created by admin on Sat Jun 26 06:19:59 UTC 2021 , Edited by admin on Sat Jun 26 06:19:59 UTC 2021
PRIMARY
CAS
61954-97-0
Created by admin on Sat Jun 26 06:19:59 UTC 2021 , Edited by admin on Sat Jun 26 06:19:59 UTC 2021
PRIMARY
MERCK INDEX
M4773
Created by admin on Sat Jun 26 06:19:59 UTC 2021 , Edited by admin on Sat Jun 26 06:19:59 UTC 2021
PRIMARY Merck Index
Related Record Type Details
PARENT -> SALT/SOLVATE