AC1O5HHY
bis((Z)-but-2-enedioic acid);2-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]ethyl 3,4,5-trimethoxybenzoate
Also Known As: Benzoic acid, 3,4,5-trimethoxy-, 2-(4-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-1-piperazinyl)ethyl ester, (Z)-2-butenedioate (1:2)|BENZOIC ACID, 3,4,5-TRIMETHOXY-, 2-(4-(8-CHLORO-10,11-DIHYDRODIBENZO(b,f)THIEPIN|(Z)-but-2-enedioic acid; 2-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]ethyl 3,4,5-trimethoxybenzoate
CAS: 34775-68-3
| Molecular Formula | C38H41ClN2O13S |
|---|---|
| Molecular Weight | 800.2018 g/mol |
| LogP | 5.0124 |
| Topological Polar Surface Area | 209.67 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 12 |
| Exact Mass | 800.2018 |
| Monoisotopic Mass | 800.2018 |
| Heavy Atoms | 55 |
| Complexity | 1802.574 |
Chemical Identifiers
| CAS Number | 34775-68-3 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C(=O)OCCN2CCN(CC2)C3C4=C(SC5=CC=CC=C5C3)C=CC(=C4)Cl.C(=C\C(=O)O)\C(=O)O.C(=C\C(=O)O)\C(=O)O |
Product Overview
AC1O5HHY (CAS 34775-68-3), with molecular formula C38H41ClN2O13S and molecular weight 800.2018 g/mol. IUPAC: bis((Z)-but-2-enedioic acid);2-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]ethyl 3,4,5-trimethoxybenzoate.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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