SA 2572
Basic information
- CAS
112946-90-4- Standard SMILES
COc1ccc(OCCCCN(C)CCc2cc(OC)c(OC)c(OC)c2)c([C@@H]2Sc3ccccc3N2C(C)=O)c1.Cl- InChIKey
AONMOOKWGFXUKH-UCRKPPETSA-N- Molecular formula
- C32H41ClN2O6S
- Average molar mass
- 617.2 g/mol
- Monoisotopic mass
- 616.2373859
Overview
structure given in first source
Names & identifiers
- Preferred name
- SA 2572
- IUPAC
- 1-[(2S)-2-[5-methoxy-2-[4-[methyl-[2-(3,4,5-trimethoxyphenyl)ethyl]amino]butoxy]phenyl]-2H-1,3-benzothiazol-3-yl]ethanone;hydrochloride
- English name
- SA 2572
- Molecular formula
- C32H41ClN2O6S
- Molecular weight
- 617.19574
Names & synonyms
112946-90-4SA 2572SA-2572Benzothiazole, 3-acetyl-2,3-dihydro-2-(5-methoxy-2-(4-(methyl(2-(3,4,5-trimethoxyphenyl)ethyl)amino)butoxy)phenyl)-, monohydrochlorideRefChem:1807391-[(2S)-2-[5-methoxy-2-[4-[methyl-[2-(3,4,5-trimethoxyphenyl)ethyl]amino]butoxy]phenyl]-2H-1,3-benzothiazol-3-yl]ethanone;hydrochloride3-Acetyl-2-(5-methoxy-2-(4-(N-methyl-N-(3,4,5-trimethoxyphenethyl)amino)butoxy)phenyl)benzothiazolineBenzothiazole,3-acetyl-2,3-dihydro-2-[5-methoxy-2-[4-[methyl[2-(3,4,5-trimethoxyphenyl)ethyl]amino]butoxy]phenyl]-,monohydrochloride, (2S)- (9CI)orb1738074DTXSID209209581-[(2S)-2-[5-Methoxy-2-(4-{methyl[2-(3,4,5-trimethoxyphenyl)ethyl]amino}butoxy)phenyl]-1,3-benzothiazol-3(2H)-yl]ethan-1-one--hydrogen chloride (1/1)1-{2-[5-Methoxy-2-(4-{methyl[2-(3,4,5-trimethoxyphenyl)ethyl]amino}butoxy)phenyl]-1,3-benzothiazol-3(2H)-yl}ethan-1-one--hydrogen chloride (1/1)
Database identifiers
- CAS
112946-90-4- PubChem CID
- 194993
- DTXSID
DTXSID20920958
Properties
Computed structural properties
- Topological polar surface area
- 95 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 14
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 777
Chemistry & industry
Applications
DescriptionSA 2572 is a newly synthesized Ca2+ antagonist having a inhibitory effect on the fast Na+ inward channel.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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