CARBOXYAMIDOTRIAZOLE OROTATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C17H12Cl3N5O2.C5H4N2O4
Molecular Weight	580.765
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of CARBOXYAMIDOTRIAZOLE OROTATE

Structure Search

SMILES

OC(=O)C1=CC(=O)NC(=O)N1.NC(=O)C2=C(N)N(CC3=CC(Cl)=C(C(=O)C4=CC=C(Cl)C=C4)C(Cl)=C3)N=N2

InChI

InChIKey=MNWOBDDXRRBONM-UHFFFAOYSA-N

InChI=1S/C17H12Cl3N5O2.C5H4N2O4/c18-10-3-1-9(2-4-10)15(26)13-11(19)5-8(6-12(13)20)7-25-16(21)14(17(22)27)23-24-25;8-3-1-2(4(9)10)6-5(11)7-3/h1-6H,7,21H2,(H2,22,27);1H,(H,9,10)(H2,6,7,8,11)

HIDE SMILES / InChI

Molecular Formula	C17H12Cl3N5O2
Molecular Weight	424.668
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C5H4N2O4
Molecular Weight	156.0963
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 Dec 16 01:51:54 UTC 2023` Edited by `admin` on `Sat Dec 16 01:51:54 UTC 2023`
Record UNII	776C212QQH
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

CARBOXYAMIDOTRIAZOLE OROTATE

Common Name

English

CTO

Common Name

English

4-PYRIMIDINECARBOXYLIC ACID, 1,2,3,6-TETRAHYDRO-2,6-DIOXO-, COMPD. WITH 5-AMINO-1-((3,5-DICHLORO-4-(4-CHLOROBENZOYL)PHENYL)METHYL)-1H-1,2,3-TRIAZOLE-4-CARBOXAMIDE (1:1)

Systematic Name

English

Classification Tree Code System Code

NCI_THESAURUS

C1742