7-chloro-4-{3-[bis(2-chloroethyl)amino]propylamino}quinaldine, dihydrochloride, hemihydrate

SpectraBase Compound ID	KNtpQo4lakg
InChI	InChI=1S/2C17H22Cl3N3.4ClH.H2O/c21-13-11-16(15-4-3-14(20)12-17(15)22-13)21-7-2-8-23(9-5-18)10-6-19;;;;;/h23-4,11-12H,2,5-10H2,1H3,(H,21,22);4*1H;1H2
InChIKey	ICDRTJKWJATXHF-UHFFFAOYSA-N Google Search
Mol Weight	456.673 g/mol
Molecular Formula	C17H24Cl5N3·½H2O
Exact Mass	454.046569 g/mol

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SpectraBase Spectrum ID	LNrMndHEl8i
Name	4-{{3-[BIS(2-CHLOROETHYL)AMINO]PROPYL}AMINO}-7-CHLOROQUINALDINE, DIHYDROCHLORIDE, HEMIHYDRATE
Source of Sample	R. Peck, Institute For Cancer Research, Philadelphia, Pennsylvania
Copyright	Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C34H50Cl10N6O
InChI	InChI=1S/2C17H22Cl3N3.4ClH.H2O/c21-13-11-16(15-4-3-14(20)12-17(15)22-13)21-7-2-8-23(9-5-18)10-6-19;;;;;/h23-4,11-12H,2,5-10H2,1H3,(H,21,22);4*1H;1H2
InChIKey	ICDRTJKWJATXHF-UHFFFAOYSA-N
Literature Reference	JACS 81, 3984(1959)
Molecular Weight	913.315002
Synonyms	QUINOLINE, 7-CHLORO-4-/3-/BIS/2- CHLOROETHYL/AMINO/PROPYLAMINO/-2- METHYL-, DIHYDROCHLORIDE, HEMIHYDRATE
Technique	KBr WAFER