Isonipecotic acid, 1-(3-phenothiazin-10-ylpropyl)-4-phenyl-, ethyl ester, hydrobromide

ethyl 4-(3-phenothiazin-10-ylpropyl)-1-phenylcyclohexane-1-carboxylate;hydrobromide

CAS: 14653-24-8

Molecular Formula	`C30H34BrNO2S`
Molecular Weight	552.6 g/mol
Topological Polar Surface Area	54.8 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	4
Rotatable Bonds	8
Exact Mass	551.14935
Heavy Atoms	35
Complexity	632.0

Chemical Identifiers

CAS Number	14653-24-8
SMILES	`CCOC(=O)C1(CCC(CC1)CCCN2C3=CC=CC=C3SC4=CC=CC=C42)C5=CC=CC=C5.Br`
InChIKey	`SIZMTGJUHFISBY-UHFFFAOYSA-N`

📖 Product Overview

Isonipecotic acid, 1-(3-phenothiazin-10-ylpropyl)-4-phenyl-, ethyl ester, hydrobromide (CAS: 14653-24-8) is a chemical compound with molecular formula C30H34BrNO2S and molecular weight 552.6 g/mol. Its IUPAC systematic name is ethyl 4-(3-phenothiazin-10-ylpropyl)-1-phenylcyclohexane-1-carboxylate;hydrobromide. Topological Polar Surface Area 54.8 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 4 Rotatable Bonds 8 Exact Mass 551.14935 Heavy Atoms 35 Complexity 632.0 InChI Key: SIZMTGJUHFISBY-UHFFFAOYSA-N. SMILES: CCOC(=O)C1(CCC(CC1)CCCN2C3=CC=CC=C3SC4=CC=CC=C42)C5=CC=CC=C5.Br.

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