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Substance Name: Benzothiazole, 2,3-dihydro-3-acetyl-2-(2-(3-(cyclohexylmethylamino)propoxy)-5-nitrophenyl)-, (E)-2-butenedioate (1:1)
RN: 86135-39-9
InChIKey: DHCPGXYODHBFNI-WLHGVMLRSA-N
Classification Code
- Drug / Therapeutic Agent
Molecular Formula
- C25-H31-N3-O4-S.C4-H4-O4
Molecular Weight
- 585.6745
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Names and Synonyms
- Benzothiazole, 2,3-dihydro-3-acetyl-2-(2-(3-(cyclohexylmethylamino)propoxy)-5-nitrophenyl)-, (E)-2-butenedioate (1:1)
Registry Numbers
CAS Registry Number
- 86135-39-9
System Generated Number
- 0086135399
Molecular Formulas
Molecular Formula
- C25-H31-N3-O4-S.C4-H4-O4
Molecular Formula Fragments
- C25-H31-N3-O4-S
- C4-H4-O4
- COMPONENT
Structure Descriptors
InChI
1S/C25H31N3O4S.C4H4O4/c1-18(29)27-22-11-6-7-12-24(22)33-25(27)21-17-20(28(30)31)13-14-23(21)32-16-8-15-26(2)19-9-4-3-5-10-19;5-3(6)1-2-4(7)8/h6-7,11-14,17,19,25H,3-5,8-10,15-16H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+InChIKey
DHCPGXYODHBFNI-WLHGVMLRSA-NSmiles
CC(=O)Toxicity
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
rat | LD50 | oral | > 2gm/kg (2000mg/kg) | United States Patent Document. Vol. #4479949, |