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33232-39-2
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Basic Information
CAS No.: 33232-39-2
Name: 1,5-Benzothiazepin-4(5H)-one, 5-(2-(dimethylamino)ethyl)-2,3-dihydro-3-hydroxy-2-(p-methoxyphenyl)-, acetate(ester), hydrochloride
Molecular Structure:
Molecular Structure of 33232-39-2 (1,5-Benzothiazepin-4(5H)-one, 5-(2-(dimethylamino)ethyl)-2,3-dihydro-3-hydroxy-2-(p-methoxyphenyl)-, acetate(ester), hydrochloride)
Formula: C22H26N2O4S•ClH
Molecular Weight: 451.02
Safety: Poison by subcutaneous and intravenous routes. Moderately toxic by ingestion. When heated to decomposition it emits toxic fumes of SOx, NOx, and HCl. See also ESTERS.
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Chemistry

Molecular structure of 1,5-Benzothiazepin-4(5H)-one, 5-(2-(dimethylamino)ethyl)-2,3-dihydro-3-hydroxy-2-(p-methoxyphenyl)-, acetate(ester), hydrochloride (CAS NO.33232-39-2) is:

Product Name: 1,5-Benzothiazepin-4(5H)-one, 5-(2-(dimethylamino)ethyl)-2,3-dihydro-3-hydroxy-2-(p-methoxyphenyl)-, acetate(ester), hydrochloride
CAS Registry Number: 33232-39-2
IUPAC Name: [5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate hydrochloride
Molecular Weight: 450.97878 [g/mol]
Molecular Formula: C22H27ClN2O4S
H-Bond Donor: 1
H-Bond Acceptor: 5
Flash Point: 313.3 °C
Enthalpy of Vaporization: 88.6 kJ/mol
Boiling Point: 594.4 °C at 760 mmHg
Vapour Pressure: 4.27E-14 mmHg at 25°C
Classification Code: Drug / Therapeutic Agent

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 58mg/kg (58mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 5, Pg. 106, 1974.
mouse LD50 oral 640mg/kg (640mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 5, Pg. 106, 1974.
mouse LD50 subcutaneous 280mg/kg (280mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 5, Pg. 106, 1974.
rat LD50 intravenous 38mg/kg (38mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 5, Pg. 106, 1974.
rat LD50 oral 560mg/kg (560mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 5, Pg. 106, 1974.
rat LD50 subcutaneous 520mg/kg (520mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 5, Pg. 106, 1974.

Safety Profile

Poison by subcutaneous and intravenous routes. Moderately toxic by ingestion. When heated to decomposition it emits toxic fumes of SOx, NOx, and HCl. See also ESTERS.

Specification

 1,5-Benzothiazepin-4(5H)-one, 5-(2-(dimethylamino)ethyl)-2,3-dihydro-3-hydroxy-2-(p-methoxyphenyl)-, acetate(ester), hydrochloride , its cas register number is 33232-39-2. It also can be called 5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate hydrochloride (1:1) .