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Substance Name: Carboxyamidotriazole orotate
RN: 187739-60-2
UNII: 776C212QQH
InChIKey: MNWOBDDXRRBONM-UHFFFAOYSA-N

Molecular Formula

  • C17-H12-Cl3-N5-O2.C5-H4-N2-O4

Molecular Weight

  • 580.7647
 
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Names and Synonyms

Name of Substance

  • Carboxyamidotriazole orotate

Synonyms

  • 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)
  • Carboxyamidotriazole orotate
  • CTO
  • UNII-776C212QQH

Registry Numbers

CAS Registry Number

  • 187739-60-2

FDA UNII

  • 776C212QQH

System Generated Number

  • 0187739602

Structure Descriptors

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)

InChIKey

MNWOBDDXRRBONM-UHFFFAOYSA-N

Smiles

NC(=O)c1nnn(Cc2cc(Cl)c(C(=O)c3ccc(Cl)cc3)c(Cl)c2)c1N.OC(=O)C4=CC(=O)NC(=O)N4