2-[[5-(carboxymethyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl]amino]-6-piperidin-4-ylhexanoic acid

Modify Date: 2025-08-25 20:25:54

2-[[5-(carboxymethyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl]amino]-6-piperidin-4-ylhexanoic acid Structure
2-[[5-(carboxymethyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl]amino]-6-piperidin-4-ylhexanoic acid structure
Common Name 2-[[5-(carboxymethyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl]amino]-6-piperidin-4-ylhexanoic acid
CAS Number 100277-62-1 Molecular Weight 449.56400
Density 1.33g/cm3 Boiling Point 735.3ºC at 760mmHg
Molecular Formula C22H31N3O5S Melting Point N/A
MSDS N/A Flash Point 398.5ºC

 Names

Name 2-[[5-(carboxymethyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl]amino]-6-piperidin-4-ylhexanoic acid
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.33g/cm3
Boiling Point 735.3ºC at 760mmHg
Molecular Formula C22H31N3O5S
Molecular Weight 449.56400
Flash Point 398.5ºC
Exact Mass 449.19800
PSA 144.27000
LogP 2.96600
Vapour Pressure 1.06E-22mmHg at 25°C
Index of Refraction 1.628
InChIKey VGLXNWGVKZBOQS-IRXDYDNUSA-N
SMILES O=C(O)CN1C(=O)C(NC(CCCCC2CCNCC2)C(=O)O)CSc2ccccc21

 Synonyms

1,5-Benzothiazepine-5(2H)-aceticacid,3-[[1-carboxy-5-(4-piperidinyl)pentyl]amino]-3,4-dihydro-4-oxo-,[S-(R*,S*)]
(R)-3-[(S)-1-carboxy-5-(4-piperidyl)pentyl]amino-4-oxo-2,-3,4,5-tetrahydro-1,5-benzothiazepin-5-acetic acid
3(R)-[1(S)-carboxy-5-(4-piperidyl)pentyl]amino-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-5-acetic acid
(R)-3-[(S)-1-carboxy-5-(4-piperidyl)pentyl]amino-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-5-acetic acid
1,5-Benzothiazepine-5(2H)-aceticacid,3-[[(1S)-1-carboxy-5-(4-piperidinyl)pentyl]amino]-3,4-dihydro-4-oxo-,(3R)
2-[[(3R)-5-(carboxymethyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl]amino]-6-piperidin-4-ylhexanoic acid
CV 5975
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