Basic information
- CAS
138778-28-6- Standard SMILES
COc1ccc([C@@H]2Sc3ccccc3N(CCN(C)C(C)C)C(=O)[C@@H]2OC(C)=O)cc1- InChIKey
VVZILLNNYUUOIY-PKTZIBPZSA-N- Molecular formula
- C24H30N2O4S
- Average molar mass
- 442.6 g/mol
- Monoisotopic mass
- 442.19262862
Overview
RN refers to (2S-cis)-isomer
Names & identifiers
- Preferred name
- Siratiazem
- IUPAC
- [(2S,3S)-2-(4-methoxyphenyl)-5-[2-[methyl(propan-2-yl)amino]ethyl]-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate
- English name
- Siratiazem
- Molecular formula
- C24H30N2O4S
- Molecular weight
- 442.577
Names & synonyms
Siratiazem138778-28-6CHJ1X6AG9FLR-A 1132,3-dihydro-3-acetoxy-2-(4-methoxyphenyl)-5-(2-(isopropyl(methyl)amino)ethyl)-1,5-benzothiazepin-4(5H)-oneLR-A-113siratiazemumRefChem:183232LR-A1133-acetoxy-2,3-dihydro-5-(2-(N-isopropyl-N-methylamino)ethyl)-2-(4-methoxyphenyl)-1,5-benzothiazepin-4-(5H)-oneSiratiazem [INN][(2S,3S)-2-(4-methoxyphenyl)-5-[2-[methyl(propan-2-yl)amino]ethyl]-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate
Show more names
(+)-(2S,3S)-2,3-Dihydro-3-hydroxy-5-(2-(isopropylmethylamino)ethyl)-2-(p-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one acetate (ester)UNII-CHJ1X6AG9Forb2815211SCHEMBL1936297CHEMBL2107305DTXSID101350914FS170126NS00126159
Database identifiers
- CAS
138778-28-6- PubChem CID
- 65989
- DTXSID
DTXSID101350914
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 84.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 608
Physicochemical properties
- FDA UNII
- 1 X6AG9F · CHJ1X6AG9F
Chemistry & industry
Suppliers1 total
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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