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Name |
N-(2-Carboxycaproyl)hydrazobenzene calcium salt hemihydrate |
EINECS | N/A |
CAS No. | 69365-73-7 | Density | N/A |
PSA | 299.11000 | LogP | 10.63970 |
Solubility | N/A | Melting Point |
N/A |
Formula | C19H22 N2 O3 . 1/2 Ca . 1/4 H2 O | Boiling Point | N/A |
Molecular Weight | 699.93 | Flash Point | N/A |
Transport Information | N/A | Appearance | N/A |
Safety | Poison by intravenous route. Moderately toxic by ingestion. An analgesic, antipyretic, and antirheumatic. When heated to decomposition it emits toxic fumes of NOx. | Risk Codes | N/A |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Propanedioicacid, butyl-, mono(1,2-diphenylhydrazide), calcium salt, hydrate (4:2:1) (9CI) |
Product Name: N-(2-Carboxycaproyl)hydrazobenzene calcium salt hemihydrate (CAS NO.69365-73-7)
Molecular Formula: C38H42CaN4O6
Molecular Weight: 690.84128g/mol
Mol File: 69365-73-7.mol
H-Bond Donor: 2
H-Bond Acceptor: 8
Structure Descriptors of N-(2-Carboxycaproyl)hydrazobenzene calcium salt hemihydrate (CAS NO.69365-73-7):
IUPAC Name: calcium 2-[anilino(phenyl)carbamoyl]hexanoate
Canonical SMILES: CCCCC(C(=O)N(C1=CC=CC=C1)NC2=CC=CC=C2)C(=O)[O-].CCCCC(C(=O)N(C1=CC=CC=C1)NC2=CC=CC=C2)C(=O)[O-].[Ca+2]
InChI: InChI=1S/2C19H22N2O3.Ca/c2*1-2-3-14-17(19(23)24)18(22)21(16-12-8-5-9-13-16)20-15-10-6-4-7-11-15;/h2*4-13,17,20H,2-3,14H2,1H3,(H,23,24);/q;;+2/p-2
InChIKey: RKINNRASCJRSHD-UHFFFAOYSA-L
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intravenous | 258mg/kg (258mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 23, Pg. 1215, 1973. | |
mouse | LD50 | oral | 2500mg/kg (2500mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 23, Pg. 1215, 1973. | |
rat | LD50 | intravenous | 263mg/kg (263mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 23, Pg. 1215, 1973. | |
rat | LD50 | oral | 1250mg/kg (1250mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 23, Pg. 1215, 1973. |
Poison by intravenous route. Moderately toxic by ingestion. An analgesic, antipyretic, and antirheumatic. When heated to decomposition it emits toxic fumes of NOx.
N-(2-Carboxycaproyl)hydrazobenzene calcium salt hemihydrate ,its CAS NO. is 69365-73-7,the synonyms is Bumadizon calcium salt hemihydrate ; Butyl-malonsaeure-mono-(1,2-diphenyl-hydrazid)-calcium-semihydrat ; Butylmalonic acid mono(1,2-diphenylhydrazide) calcium salt hemihydrate ; Butylpropanedioic acid mono(1,2-diphenylhydrazide) calcium salt hemihydrate ; Eumotol ; Rheumatol ; alpha-Carboxycaproyl-N,N'-diphenylhydrazine calcium salt hemihydrate ; Malonic acid, butyl-, mono(1,2-diphenylhydrazide), calcium salt, hemihydrate .