Registration Dossier

General information

Inventory

EC number:
255-799-0
EC name:
(2S-cis)-2,3-dihydro-3-hydroxy-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one
CAS number:
42399-49-5

No inventory information available

Reference substance information

IUPAC name:
(2S,3S)-3-hydroxy-2-(4-methoxyphenyl)-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-one
Synonyms
Names:
1,5-Benzothiazepin-4(5H)-one, 2,3-dihydro-3-hydroxy-2-(4-methoxyphenyl)-, (2S-cis)-
DTZ62
Identifier:
CAS number
42399-49-5
Identifier:
IUPAC name
(2S,3S)-3-hydroxy-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
Identifier:
IUPAC name
3-hydroxy-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
Identifier:
other: InChl
InChI=1/C16H15NO3S/c1-20-11-8-6-10(7-9-11)15-14(18)16(19)17-12-4-2-3-5-13(12)21-15/h2-9,14-15,18H,1H3,(H,17,19)
(2S-cis)-2,3-dihydro-3-hydroxy-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one

CAS information

CAS number:
42399-49-5

Molecular and structural information

Molecular formula:
C16H15NO3S
Molecular weight:
301.36
SMILES notation:
COc1ccc(cc1)[C@@H]2Sc3ccccc3NC(=O)[C@@H]2O
InChl:
1/C16H15NO3S/c1-20-11-8-6-10(7-9-11)15-14(18)16(19)17-12-4-2-3-5-13(12)21-15/h2-9,14-15,18H,1H3,(H,17,19)/t14-,15+/m1/s1/f/h17H
Structural formula:
Chemical structure