Product Name: Diapamide (CAS NO.3688-85-5)
Molecular Formula: C9H11ClN2O3S
Molecular Weight: 262.73g/mol
Mol File: 3688-85-5.mol
Surface Tension: 45.8 dyne/cm
XLogP3-AA: 0.8
H-Bond Donor: 2
H-Bond Acceptor: 4
Structure Descriptors of Diapamide (CAS NO.3688-85-5):
IUPAC Name: 4-Chloro-N-methyl-3-(methylsulfamoyl)benzamide
Canonical SMILES: CNC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)NC
InChI: InChI=1S/C9H11ClN2O3S/c1-11-9(13)6-3-4-7(10)8(5-6)16(14,15)12-2/h3-5,12H,1-2H3,(H,11,13)
InChIKey: REQFWARMBJWJAQ-UHFFFAOYSA-N
1. | orl-rat LD50:1400 mg/kg | JNDRAK Journal of New Drugs. 3 (1963),302. | ||
2. | orl-mus LD50:2580 mg/kg | JNDRAK Journal of New Drugs. 3 (1963),302. | ||
3. | ipr-mus LD50:520 mg/kg | |||
4. |
| JNDRAK Journal of New Drugs. 3 (1963),302. |
Moderately toxic by ingestion and intraperitoneal routes. When heated to decomposition it emits very toxic SOx, NOx, and Cl−.
Diapamide , its CAS NO. is 3688-85-5, the synonyms are 4-Chloro-N-methyl-3-((methylamino)sulfonyl)benzamide ; 4-Chloro-N-methyl-3-(methylsulfamoyl)benzamide ; BRN 2138735 ; Benzamide, 4-chloro-N-methyl-3-((methylamino)sulfonyl)- ; CI-456 ; CN-36337 ; D 1593 ; NSC 178204 ; Thiamizide ; Tiamizidum ; UNII-887WQB35ME ; Vectren .
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