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Substance Name: 3-Quinolinecarboxylic acid, 1,4-dihydro-7-(3-amino-1-pyrrolidinyl)-1-(1,1-dimethylethyl)-6-fluoro-4-oxo-, (S)-, monomethanesulfonate, dihydrate
RN: 130548-45-7
InChIKey: RUPKETXHWQBOLZ-PPHPATTJSA-N
Classification Code
- Drug / Therapeutic Agent
Molecular Formula
- C18-H22-F-N3-O3.C-H4-O3-S.2H2-O
Molecular Weight
- 443.4934
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Names and Synonyms
- 3-Quinolinecarboxylic acid, 1,4-dihydro-7-(3-amino-1-pyrrolidinyl)-1-(1,1-dimethylethyl)-6-fluoro-4-oxo-, (S)-, monomethanesulfonate, dihydrate
Registry Numbers
CAS Registry Number
- 130548-45-7
System Generated Number
- 0130548457
Molecular Formulas
Molecular Formula
- C18-H22-F-N3-O3.C-H4-O3-S.2H2-O
Molecular Formula Fragments
- C-H4-O3-S
- C18-H22-F-N3-O3
- COMPONENT
- H2-O
Structure Descriptors
InChI
1S/C18H22FN3O3.CH4O3S/c1-18(2,3)22-9-12(17(24)25)16(23)11-6-13(19)15(7-14(11)22)21-5-4-10(20)8-21;1-5(2,3)4/h6-7,9-10H,4-5,8,20H2,1-3H3,(H,24,25);1H3,(H,2,3,4)/t10-;/m0./s1InChIKey
RUPKETXHWQBOLZ-PPHPATTJSA-NSmiles
CC(C)Toxicity
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intravenous | 188mg/kg (188mg/kg) | Journal of Medicinal Chemistry. Vol. 34, Pg. 29, 1991. | |
mouse | LD50 | oral | 3500mg/kg (3500mg/kg) | Journal of Medicinal Chemistry. Vol. 34, Pg. 29, 1991. |