Product Code

TRC-T017301

CAS Number

110221-44-8

Product Format

Neat

Molecular Formula

C23 H28 N2 O5 S2 . Cl H

Molecular Weight

513.07

API Family

Temocapril

Product Categories

TRC, Chiral catalysts, ligands, & reagents

Product Type

Synthesis Tools

Alternate CAS Number

Free base: 111902-57-9

Price and availability

48-hour USA dispatch time

Freight restricted.

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Product Information

Chemical Data

Analyte Name

Temocapril Hydrochloride

CAS Number

110221-44-8

Molecular Formula

C23 H28 N2 O5 S2 . Cl H

Molecular Weight

513.07

Accurate Mass

512.1206

SMILES

Cl.CCOC(=O)[C@H](CCc1ccccc1)N[C@H]2CS[C@@H](CN(CC(=O)O)C2=O)c3cccs3

InChI

InChI=1S/C23H28N2O5S2.ClH/c1-2-30-23(29)17(11-10-16-7-4-3-5-8-16)24-18-15-32-20(19-9-6-12-31-19)13-25(22(18)28)14-21(26)27;/h3-9,12,17-18,20,24H,2,10-11,13-15H2,1H3,(H,26,27);1H/t17-,18-,20-;/m0./s1

IUPAC

2-[(2S,6R)-6-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]-5-oxo-2-thiophen-2-yl-1,4-thiazepan-4-yl]acetic acid;hydrochloride

Alternate CAS Number

Free base: 111902-57-9

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

API Family

Temocapril

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Temocapril Hydrochloride

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