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(4s,7s,10as)-5-Oxo-4-[[(2s)-3-Phenyl-2-Sulfanylpropanoyl]Amino]-2,3,4,7,8,9,10,10a-Octahydropyrido[2,1-B][1,3]Thiazepine-7-Carboxylic Acid

Error correction

(4S,7S,10As)-5-Oxo-4-[[(2S)-3-Phenyl-2-Sulfanylpropanoyl]Amino]-2,3,4,7,8,9,10,10A-Octahydropyrido[2,1-B][1,3]Thiazepine-7-Carboxylic Acid / CAS : 167305-00-2

Appearance solid UN -
HS 29349990 DG Class -
Synonyms Omapatrilat; Omapatrilat (Jan/Usan/Inn); Vanlev; Bms-186716; Bms 186716
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Properties

Summary

Formula
C19H24N2O4S2
Molecular Mass
408.53500
Exact Mass
408.11800
PSA
150.81000
Logp
2.26980
IUPAC
(4S,7S,10aS)-5-oxo-4-[[(2S)-3-phenyl-2-sulfanylpropanoyl]amino]-2,3,4,7,8,9,10,10a-octahydropyrido[2,1-b][1,3]thiazepine-7-carboxylic acid
SMILES
C1C[C@H](N2[C@H](C1)SCC[C@@H](C2=O)NC(=O)[C@H](CC3=CC=CC=C3)S)C(=O)O

Attribute classification

Matter Classification
organic
Category
API & Intermediate > Pharmaceutical Raw Materials

Chemical and Physical Properties

Density
1.37g/cm3
Boiling Point
724.2ºC
Flash Point
391.8ºC
Appearance
solid
Acidity and Basicity
acidness

Export information

HS Code
29349990
Export Rebate
10%

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