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Substance Name: 1-Piperazineethanol, 4-(10,11-dihydro-3-fluoro-8-(1-methylethyl)dibenzo(b,f)thiepin-10-yl)-, (R*,S*)-(+-), S-oxide, (Z)-2-butenedioate (1:1) (salt)
RN: 106754-77-2
InChIKey: JIKYGJCWUYFAJK-UEIHTRCASA-N
Classification Code
- Drug / Therapeutic Agent
Molecular Formula
- C23-H29-F-N2-O2-S.C4-H4-O4
Molecular Weight
- 532.6297
Names and Synonyms
- 1-Piperazineethanol, 4-(10,11-dihydro-3-fluoro-8-(1-methylethyl)dibenzo(b,f)thiepin-10-yl)-, (R*,S*)-(+-), S-oxide, (Z)-2-butenedioate (1:1) (salt)
Registry Numbers
CAS Registry Number
- 106754-77-2
System Generated Number
- 0106754772
Molecular Formulas
Molecular Formula
- C23-H29-F-N2-O2-S.C4-H4-O4
Molecular Formula Fragments
- C23-H29-F-N2-O2-S
- C4-H4-O4
- COMPONENT
Structure Descriptors
InChI
1S/C23H29FN2O2S.C4H4O4/c1-16(2)17-4-6-22-20(13-17)21(26-9-7-25(8-10-26)11-12-27)14-18-3-5-19(24)15-23(18)29(22)28;5-3(6)1-2-4(7)8/h3-6,13,15-16,21,27H,7-12,14H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+/t21-,29?;/m0./s1InChIKey
JIKYGJCWUYFAJK-UEIHTRCASA-NSmiles
CC(C)Toxicity
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | oral | 218mg/kg (218mg/kg) | Collection of Czechoslovak Chemical Communications. Vol. 51, Pg. 698, 1986. |