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Substance Name: Ethanone, 1-(4-(methylsulfonyl)phenyl)-2-(4-morpholinyl)-, (Z)-2-butenedioate (1:1)
RN: 56621-69-3
InChIKey: SHPGJEQMSAGNKH-BTJKTKAUSA-N
Classification Code
- Drug / Therapeutic Agent
Molecular Formula
- C13-H17-N-O4-S.C4-H4-O4
Molecular Weight
- 399.418
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Names and Synonyms
Synonym
- 1-(4-(Methylsulfonyl)phenyl)-2-(4-morpholinyl)ethanone maleate
Systematic Name
- Ethanone, 1-(4-(methylsulfonyl)phenyl)-2-(4-morpholinyl)-, (Z)-2-butenedioate (1:1)
Registry Numbers
CAS Registry Number
- 56621-69-3
System Generated Number
- 0056621693
Molecular Formulas
Molecular Formula
- C13-H17-N-O4-S.C4-H4-O4
Molecular Formula Fragments
- C13-H17-N-O4-S
- C4-H4-O4
- COMPONENT
Structure Descriptors
InChI
1S/C13H17NO4S.C4H4O4/c1-19(16,17)12-4-2-11(3-5-12)13(15)10-14-6-8-18-9-7-14;5-3(6)1-2-4(7)8/h2-5H,6-10H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-InChIKey
SHPGJEQMSAGNKH-BTJKTKAUSA-NSmiles
c1(C(C[NH+]2CCOCC2)Toxicity
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | oral | 2gm/kg (2000mg/kg) | Collection of Czechoslovak Chemical Communications. Vol. 40, Pg. 1204, 1975. |