Alverine Citrate - CAS 5560-59-8

Catalog:	BB029109
Product Name:	Alverine Citrate
CAS:	5560-59-8
Synonyms:	N-ethyl-3-phenyl-N-(3-phenylpropyl)propan-1-amine;2-hydroxypropane-1,2,3-tricarboxylic acid
Application:	Parasympatholytics

Alverine Citrate

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Computed Properties

Related CAS:	5982-87-6 (HCl)
IUPAC Name:	N-ethyl-3-phenyl-N-(3-phenylpropyl)propan-1-amine;2-hydroxypropane-1,2,3-tricarboxylic acid
Description:	Alverine Citrate is a highly potent competitive CXCR4 antagonist with EC50 of 0.3 nM.
Molecular Weight:	473.56
Molecular Formula:	C20H27N · C6H8O7
Canonical SMILES:	CCN(CCCC1=CC=CC=C1)CCCC2=CC=CC=C2.C(C(=O)O)C(CC(=O)O)(C(=O)O)O
InChI:	InChI=1S/C20H27N.C6H8O7/c1-2-21(17-9-15-19-11-5-3-6-12-19)18-10-16-20-13-7-4-8-14-20;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-8,11-14H,2,9-10,15-18H2,1H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
InChI Key:	RYHCACJBKCOBTJ-UHFFFAOYSA-N
Boiling Point:	358.8 °C at 760 mmHg
Purity:	> 98 %
Appearance:	Solid powder
MDL:	MFCD00035086
LogP:	3.32540

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