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Substance Name: 1,3-Propanediamine, N,N-diethyl-N'-(4-phenyl-2-thiazolyl)-, (Z)-2-butenedioate (1:2)
RN: 118679-02-0
InChIKey: AJZHYTJWRHQEQI-LVEZLNDCSA-N
Classification Code
- Drug / Therapeutic Agent
Molecular Formula
- C16-H23-N3-S.2C4-H4-O4
Molecular Weight
- 521.5879
Names and Synonyms
Synonyms
- N,N-Diethyl-N'-(4-phenyl-2-thiazolyl)-1,3-propanediamine (Z)-2-butenedioate (1:2)
- SR 44374 A
Systematic Name
- 1,3-Propanediamine, N,N-diethyl-N'-(4-phenyl-2-thiazolyl)-, (Z)-2-butenedioate (1:2)
Registry Numbers
CAS Registry Number
- 118679-02-0
System Generated Number
- 0118679020
Molecular Formulas
Molecular Formula
- C16-H23-N3-S.2C4-H4-O4
Molecular Formula Fragments
- C16-H23-N3-S
- C4-H4-O4
- COMPONENT
Structure Descriptors
InChI
1S/C16H23N3S.2C4H4O4/c1-3-19(4-2)12-8-11-17-16-18-15(13-20-16)14-9-6-5-7-10-14;2*5-3(6)1-2-4(7)8/h5-7,9-10,13H,3-4,8,11-12H2,1-2H3,(H,17,18);2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+InChIKey
AJZHYTJWRHQEQI-LVEZLNDCSA-NSmiles
CCN(CCCNc1scc(n1)Toxicity
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intraperitoneal | 150mg/kg (150mg/kg) | United States Patent Document. Vol. #5232921, |