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Substance Name: 1-Piperazinepropanol, 4-(10,11-dihydro-8-(methylthio)dibenzo(b,f)thiepin-10-yl)-, propanoate (ester), (Z)-2-butenedioate (1:2)
RN: 30319-78-9
InChIKey: DJSVAHRSEXYINE-LVEZLNDCSA-N
Classification Code
- Drug / Therapeutic Agent
Molecular Formula
- C25-H32-N2-O2-S2.2C4-H4-O4
Molecular Weight
- 688.815
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Names and Synonyms
- 1-Piperazinepropanol, 4-(10,11-dihydro-8-(methylthio)dibenzo(b,f)thiepin-10-yl)-, propanoate (ester), (Z)-2-butenedioate (1:2)
Registry Numbers
CAS Registry Number
- 30319-78-9
System Generated Number
- 0030319789
Molecular Formulas
Molecular Formula
- C25-H32-N2-O2-S2.2C4-H4-O4
Molecular Formula Fragments
- C25-H32-N2-O2-S2
- C4-H4-O4
- COMPONENT
Structure Descriptors
InChI
1S/C25H32N2O2S2.2C4H4O4/c1-3-25(28)29-16-6-11-26-12-14-27(15-13-26)22-17-19-7-4-5-8-23(19)31-24-10-9-20(30-2)18-21(22)24;2*5-3(6)1-2-4(7)8/h4-5,7-10,18,22H,3,6,11-17H2,1-2H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+InChIKey
DJSVAHRSEXYINE-LVEZLNDCSA-NSmiles
C(\C=C\C(=O)Toxicity
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | oral | 264mg/kg (264mg/kg) | Collection of Czechoslovak Chemical Communications. Vol. 36, Pg. 2226, 1971. |