AC1O5IES
3-[(5S,6S)-3-chloro-5-hydroxy-5,6-dihydrobenzo[b][1]benzothiepin-6-yl]propyl-dimethylazanium;(Z)-4-hydroxy-4-oxobut-2-enoate
Also Known As: cis-2-Chloro-10-(3-dimethylaminopropyl)-10,11-dihydrodibenzo(b,f)thiepin-11-ol maleate|Dibenzo(b,f)thiepin-10-ol, 10,11-dihydro-8-chloro-11-(3-(dimethylamino)propyl)-, cis-, (Z)-2-butenedioate (1:1)|DIBENZO(b,f)THIEPIN-10-OL, 10,11-DIHYDRO-8-CHLORO-11-(3-(DIMETHYLAMINO)PROPYL)-,|3-[(5S,6S)-3-chloro-5-hydroxy-5,6-dihydrobenzo[b][1]benzothiepin-6-yl]propyl-dimethylazanium; (Z)-4-hydroxy-4-oxobut-2-enoate
| Molecular Formula | C23H26ClNO5S |
|---|---|
| Molecular Weight | 463.122 g/mol |
| LogP | 1.9236 |
| Topological Polar Surface Area | 102.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 463.122 |
| Monoisotopic Mass | 463.122 |
| Heavy Atoms | 31 |
| Complexity | 931.3141 |
Chemical Identifiers
| CAS Number | 62674-90-2 |
|---|---|
| SMILES | C[NH+](C)CCC[C@@H]1[C@@H](C2=C(C=CC(=C2)Cl)SC3=CC=CC=C13)O.C(=C\C(=O)[O-])\C(=O)O |
Product Overview
AC1O5IES (CAS 62674-90-2), with molecular formula C23H26ClNO5S and molecular weight 463.122 g/mol. IUPAC: 3-[(5S,6S)-3-chloro-5-hydroxy-5,6-dihydrobenzo[b][1]benzothiepin-6-yl]propyl-dimethylazanium;(Z)-4-hydroxy-4-oxobut-2-enoate.
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