Vatalanib dihydrochloride

CAT: 0127-BUP11005-01Size: 10 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0127-BUP11005-01Size:10 mg

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

212141-51-0

Synonyms

CGP-797870 dihydrochloride, Vatalanib 2HCl, PTK787 dihydrochloride, Vatalanib (PTK787) 2HCl, CGP-79787 dihydrochloride, ZK-222584 dihydrochloride

Purity

=98%

Smiles

Cl.Cl.Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1

Chemical Information

Vatalanib dihydrochloride

Vatalanib dihydrochloride is a member of phthalazines.

CAS Number	212141-51-0
PubChem CID	22386467
IUPAC Name	N-(4-chlorophenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine;dihydrochloride
Molecular Formula	C20H17Cl3N4
Molecular Weight	419.7
Topological Polar Surface Area	50.7
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	27
Formal Charge	0
Complexity	407

SMILES

C1=CC=C2C(=C1)C(=NN=C2NC3=CC=C(C=C3)Cl)CC4=CC=NC=C4.Cl.Cl

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

InChIKey

AZUQEHCMDUSRLH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 212141-51-0

CID: 22386467

Formula: C20H17Cl3N4

MW: 419.7

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	419.7
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	418.051880
Monoisotopic Mass	418.051880
Topological Polar Surface Area	50.7 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	407
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	3
Compound Is Canonicalized	Yes

Catalog	Name
BIFK0006-01	Vatalanib
BUP07097-01	Vatalanib hydrochloride
BUP10219-01	Vatalanib free base
OR1013406-01	Formamidine disulfide dihydrochloride Disulfide Dihydrochloride
PC109003-01	Flupenthixol Dihydrochloride
PC108379-01	Canertinib Dihydrochloride
BUP17072-01	Fluphenazine dihydrochloride
BUP16127-01	Pyrithioxin dihydrochloride
BUP15683-01	Levocetirizine Dihydrochloride
BUP14968-01	Mitoxantrone dihydrochloride

Catalog	Name
291905-01	Vatalanib dihydrochloride
HY-12018-01	Vatalanib (dihydrochloride)
410-20	Vatalanib, dihydrochloride
sc-220372	Vatalanib-d4 Dihydrochloride
MBS579253	Vatalanib (PTK787) diHydrochloride
BC099-100	Vatalanib, Dihydrochloride Salt, >99%
V2120-70A	Vatalanib Dihydrochloride (N- (4-Chlorophenyl) -4- (4-pyridinylmethyl) -1-phthalazinamine Dihydrochloride, CGP-79787 Dihydrochloride)
MBS655338-01	Vatalanib Dihydrochloride (N-(4-Chlorophenyl)-4-(4-pyridinylmethyl)-1-phthalazinamine Dihydrochloride, CGP-79787 Dihydrochloride)
HY-10203-01	Vatalanib