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N-(2-Carboxycaproyl)hydrazobenzene calcium salt hemihydrate

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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 Molecular Structure of 69365-73-7 (2-(anilino-phenyl-carbamoyl)hexanoic acid) Hazard Symbols N/A
Synonyms

Propanedioicacid, butyl-, mono(1,2-diphenylhydrazide), calcium salt, hydrate (4:2:1) (9CI)

 

N-(2-Carboxycaproyl)hydrazobenzene calcium salt hemihydrate Chemical Properties

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

N-(2-Carboxycaproyl)hydrazobenzene calcium salt hemihydrate Toxicity Data With Reference

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.

N-(2-Carboxycaproyl)hydrazobenzene calcium salt hemihydrate Safety Profile

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 Specification

 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 .

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