Quinacrine mustard dihydrochloride

1-N,1-N-bis(2-chloroethyl)-4-N-(6-chloro-2-methoxyacridin-9-yl)pentane-1,4-diamine;dihydrochloride

CAS: 4213-45-0

Molecular Formula	`C23H30Cl5N3O`
Molecular Weight	541.8 g/mol
Topological Polar Surface Area	37.4 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	4
Rotatable Bonds	11
Exact Mass	541.0802
Heavy Atoms	32
Complexity	494.0

Chemical Identifiers

CAS Number	4213-45-0
SMILES	`CC(CCCN(CCCl)CCCl)NC1=C2C=C(C=CC2=NC3=C1C=CC(=C3)Cl)OC.Cl.Cl`
InChIKey	`JETDZFFCRPFPDH-UHFFFAOYSA-N`

📖 Product Overview

Quinacrine mustard dihydrochloride (CAS: 4213-45-0) is a chemical compound with molecular formula C23H30Cl5N3O and molecular weight 541.8 g/mol. Its IUPAC systematic name is 1-N,1-N-bis(2-chloroethyl)-4-N-(6-chloro-2-methoxyacridin-9-yl)pentane-1,4-diamine;dihydrochloride. Topological Polar Surface Area 37.4 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 4 Rotatable Bonds 11 Exact Mass 541.0802 Heavy Atoms 32 Complexity 494.0 InChI Key: JETDZFFCRPFPDH-UHFFFAOYSA-N. SMILES: CC(CCCN(CCCl)CCCl)NC1=C2C=C(C=CC2=NC3=C1C=CC(=C3)Cl)OC.Cl.Cl.

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