AJMALINE PHENOBARBITAL

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H26N2O2.C12H12N2O3
Molecular Weight	558.6679
Optical Activity	UNSPECIFIED
Defined Stereocenters	9 / 9
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCC1(C(=O)NC(=O)NC1=O)C2=CC=CC=C2.CC[C@H]3[C@@H]4C[C@H]5[C@@H]6N(C)C7=CC=CC=C7[C@]68C[C@@H]([C@H]4[C@H]8O)N5[C@@H]3O

InChI

InChIKey=ADRLAPQLTWAKBF-LCJCZRDQSA-N

InChI=1S/C20H26N2O2.C12H12N2O3/c1-3-10-11-8-14-17-20(12-6-4-5-7-13(12)21(17)2)9-15(16(11)18(20)23)22(14)19(10)24;1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16/h4-7,10-11,14-19,23-24H,3,8-9H2,1-2H3;3-7H,2H2,1H3,(H2,13,14,15,16,17)/t10-,11-,14-,15-,16-,17-,18+,19+,20+;/m0./s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

2,4,6(1H,3H,5H)-PYRIMIDINETRIONE, 5-ETHYL-5-PHENYL-, COMPD. WITH (17R,21.ALPHA.)-AJMALAN-17,20-DIOL (1:1)

Preferred Name

English

AJMALINE PHENOBARBITAL

Common Name

English

Ajmaline phenobarbital [WHO-DD]

Common Name

English

BARBITURIC ACID, 5-ETHYL-5-PHENYL-, COMPD. WITH AJMALINE (1:1)

Systematic Name

English

AJMALAN-17,21-DIOL, (17R,21.ALPHA.)-, COMPD. WITH 5-ETHYL-5-PHENYL-2,4,6(1H,3H,5H)-PYRIMIDINETRIONE (1:1)

Systematic Name

English

AJMALINE, COMPD. WITH 5-ETHYL-5-PHENYLBARBITURIC ACID (1:1)

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID90201125