AG006NPU

99519-84-3 | 5-Amino-1-(3,5-dichloro-4-(4-chlorobenzoyl)benzyl)-1H-1,2,3-triazole-4-carboxamide

AG006NPU

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CAS Number	99519-84-3
Catalog Number	AG006NPU(AGN-PC-0JLG52)
Chemical Name	5-Amino-1-(3,5-dichloro-4-(4-chlorobenzoyl)benzyl)-1H-1,2,3-triazole-4-carboxamide
IUPAC Name	5-amino-1-[[3,5-dichloro-4-(4-chlorobenzoyl)phenyl]methyl]triazole-4-carboxamide
InChI	InChI=1S/C17H12Cl3N5O2/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/h1-6H,7,21H2,(H2,22,27)
InChI Key	WNRZHQBJSXRYJK-UHFFFAOYSA-N
MDL Number	MFCD00866325
Molecular Formula	C17H12Cl3N5O2
Molecular Weight	424.6685
NSC Number	609974
SMILES	O=C(C1=C(N)N(CC2=CC(Cl)=C(C(C3=CC=C(Cl)C=C3)=O)C(Cl)=C2)N=N1)N
UNII	6ST3ZF52WB
Synonyms	4-CAI, carboxyamido-triazole, carboxyamidotriazole, L 651582, L-651582, L651582, Carboxyamidotriazole, 99519-84-3, 5-amino-1-(3,5-dichloro-4-(4-chlorobenzoyl)benzyl)-1H-1,2,3-triazole-4-carboxamide, Carboxyamido-triazole, L651582, L-651582, 4-CAI, CAI, L-651,582, UNII-6ST3ZF52WB, NSC609974, C17H12Cl3N5O2, MLS003373924, L 651582, NSC 609974, NSC-609974, 6ST3ZF52WB, 5-amino-1-[[3,5-dichloro-4-(4-chlorobenzoyl)phenyl]methyl]triazole-4-carboxamide, SMR002048715, 1H-1,2,3-Triazole-4-carboxamide, 5-amino-1-((3,5-dichloro-4-(4-chlorobenzoyl)phenyl)methyl)-, 5-Amino-1-((3,5-dichloro-4-(4-chlorobenzoyl)phenyl)methyl)-1H-1,2,3-triazole-4-carboxamide, 5-amino-1-[3,5-dichloro-4-(4-chlorobenzoyl)benzyl]-1h-1,2,3-triazole-4-carboxamide, CCRIS 9404, Carboxiamidotriazol, 5-amino-1-(4-(4-chlorobenzoyl)-3,5-dichlorobenzyl)-1,2,3-triazole-4-carboxamide, 5-amino-1-(4-[4-chlorobenzoyl]-3,5-dichlorobenzyl)-1,2,3-triazole-4-carboxamide, 5-amino-1-[4-(4-chlorobenzoyl)-3,5-dichlorobenzyl]-1,2,3-triazole-4-carboxamide, 1H-1,2,3-Triazole-4-carboxamide, 5-amino-1-[[3,5-dichloro-4-(4-chlorobenzoyl)phenyl]methyl]-, 5-AMINO-1-[[3,5-DICHLORO-4-(4-CHLOROBENZOYL)PHENYL]METHYL]-1H-1,2,3-TRIAZOLE-4-CARBOXAMIDE, PubChem13343, AC1Q5G1W, NCIStruc1_001699, NCIStruc2_001836, SCHEMBL18866, MLS006010700, CHEMBL95431, AC1L33F8, cid_108144, MERCK L651582, BDBM97191, CTK3I6744, DTXSID40244108, RFE-007, WNRZHQBJSXRYJK-UHFFFAOYSA-N, ZINC538116, CA-820, CCG-37684, MFCD00866325, NCGC00014926, NCI609974, AKOS024457417, Carboxyamidotriazole, >=98% (HPLC), AC-6332, API0015863, DB11960, SB17291, NCGC00014926-02, NCGC00014926-03, NCGC00098026-01, AN-10130, BC677923, NCI60_004782, LS-178419, B7269, FT-0740142, X7001, 519A843, SR-01000902267, SR-01000902267-2, 5-amino-1-[3,5-dichloro-4-(4-chlorobenzoyl)benzyl]triazole-4-carboxamide, 1-[3,5-dichloro-4-(4-chlorobenzoyl)benzyl]-5-amino-1h-1,2,3-triazole-4-carboxamide, 5-amino-1(4-[4-chlorobenzoyl]-3,5-dichlorobenzyl)-1,2,3-triazole-4-carboxamide, 5-amino-1-(4-(4-chlorobenzoyl)-3,5-dichlorobenzyl)- 1,2,3-triazole-4-carboxamide, 5-amino-1-(4-(4-chlorobenzoyl)-3,5-dichlorobenzyl)1,2,3-triazole-4-carboxamide, 5-Amino-1-[3,5-dichloro-4-(4-chlorobenzoyl)benzyl]-1H-[1,2,3]triazole-4-carboxamide, 5-amino-1-[4-(4-chlorobenzoyl)-3,5-dichlorobenzyl]-1h-1,2,3-triazole-4-carboxamide, 5-amino-l-(4-(4-chlorobenzoyl)-3,5-dichlorobenzyl)- 1,2,3-triazole-4-carboxamide, 1h-1,2,3-triazole-4-carboxamide-5-amino-1-[[3,5-dichloro-4-(4-chlorobenzoyl)phenyl]methyl], 1H-1,3-Triazole-4-carboxamide, 5-amino-1-[[3,5-dichloro-4-(4-chlorobenzoyl)phenyl]methyl]-, 5-amino-1-[[3,5-dichloro-4-(4-chloro-benzoyl)-phenyl]methyl]-1h-1,2,3-triazole-4-carboxamide, 5-amino-1-[[3,5-dichloro-4-(4-chlorobenzoyl)phenyl]methyl]-4,5-dihydrotriazole-4-carboxamide, 5-amino-1-[[3,5-dichloro-4-[(4-chlorophenyl)-oxomethyl]phenyl]methyl]-4-triazolecarboxamide, 5-amino-1-[3,5-dichloro-4-(4-chlorobenzoyl)benzyl]-1h-[1,2,3]triazole-4-carboxylic acid amide, 5-azanyl-1-[[3,5-bis(chloranyl)-4-(4-chlorophenyl)carbonyl-phenyl]methyl]-1,2,3-triazole-4-carboxamide, 5-Chloro-1-[1-[3-(2-oxo-1,3-dihydrobenzoimidazol-1-yl)propyl]-4-piperidyl]-1,3-dihydrobenzoimidazol-2-one maleate, Carboxyamidotriazole (CAI), D05IIP, AR-1G7006, C17-H12-Cl3-N5-O2, CID108144, C062058, 6335-12-2,

Complexity	549
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	423.006g/mol
Formal Charge	0
Heavy Atom Count	27
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	424.666g/mol
Monoisotopic Mass	423.006g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	117A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301
Packing Group	Ⅲ
Precautionary statements	P301+P310
UN Code	UN 2811

Certificate of Analysis

Lot Number