AG00BF56

212141-51-0 | Vatalanib Dihydrochloride

AG00BF56

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CAS Number	212141-51-0
Catalog Number	AG00BF56(AGN-PC-03OKL9)
Chemical Name	Vatalanib Dihydrochloride
IUPAC Name	N-(4-chlorophenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine;dihydrochloride
InChI	InChI=1S/C20H15ClN4.2ClH/c21-15-5-7-16(8-6-15)23-20-18-4-2-1-3-17(18)19(24-25-20)13-14-9-11-22-12-10-14;;/h1-12H,13H2,(H,23,25);2*1H
InChI Key	AZUQEHCMDUSRLH-UHFFFAOYSA-N
MDL Number	MFCD08458964
Molecular Formula	C20H17Cl3N4
Molecular Weight	419.7348
SMILES	ClC1=CC=C(NC2=NN=C(CC3=CC=NC=C3)C4=C2C=CC=C4)C=C1.[H]Cl.[H]Cl
Synonyms	Vatalanib dihydrochloride, 212141-51-0, Vatalanib (PTK787) 2HCl, Vatalanib 2HCl, N-(4-Chlorophenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine dihydrochloride, CGP-79787D, Vatalanib (dihydrochloride), PTK/ZK, NCGC00181350-02, N-(4-Chlorophenyl)-4-(4-pyridinylmethyl)-1-phthalazinamine Dihydrochloride, PTK787 dihydrochloride, Vatalanib Dihydrochloride/, DSSTox_CID_28999, DSSTox_RID_83264, DSSTox_GSID_49073, CGP-79787 dihydrochloride, SCHEMBL905616, Vatalanib Dihydrochloride Salt, Vatalanib,Dihydrochloride-Salt, BIFK0044, Vatalanib dihydrochloride(2HCl), CHEMBL2142861, DTXSID5049073, KS-00001CVC, AOB5504, EX-A334, AZUQEHCMDUSRLH-UHFFFAOYSA-N, ZX-AFC001158, BCP27632, Tox21_113631, ABP000870, s1101, Vatalanib (PTK787) diHydrochloride, AKOS005146306, CS-0149, EX-8584, RL02615, VA11933, 4CA-1314, AK122150, AN-16850, HY-12018, Vatalanib Dihydrochloride Base - PTK787, AB0073026, AX8169846, CAS-212141-51-0, FT-0675790, SW198937-2, ZK 222584 (cpg-79787) 2HCl, EC-000.2362, W-5376, J-013921, J-523048, PTK787;PTK/ZK;CGP-79787D;CGP-79787;ZK-222584, 1-(4-Chloroanilino)-4-(4-pyridylmethyl)phthalazine dihydrochloride, N-(4-chlorophenyl)-4-(4-pyridylmethyl)phthalazin-1-amine dihydrochloride, N-(4-chlorophenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine;dihydrochloride, PTK/ZK, CGP-79787D, CGP-79787, ZK-222584, 212141-51-0, Vatalanib, Vatalanib succinate, VatalanibDihydrochloride, cc-530, CGP-79787, ZK222584, 212141-51-0 (2HCl), A10967, Vatalanib dihydrochloride, 99% - 25MG 25mg, 212141-54-3,

Complexity	407
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	3
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	418.052g/mol
Formal Charge	0
Heavy Atom Count	27
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	419.734g/mol
Monoisotopic Mass	418.052g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	50.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number