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69365-73-7

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Basic Information
CAS No.: 69365-73-7
Name: 2-(anilino-phenyl-carbamoyl)hexanoic acid
Molecular Structure:
Molecular Structure of 69365-73-7 (2-(anilino-phenyl-carbamoyl)hexanoic acid)
Formula: C19H22 N2 O3 . 1/2 Ca . 1/4 H2 O
Molecular Weight: 699.93
Synonyms: Propanedioicacid, butyl-, mono(1,2-diphenylhydrazide), calcium salt, hydrate (4:2:1) (9CI)
Safety: Poison by intravenous route. Moderately toxic by ingestion. An analgesic, antipyretic, and antirheumatic. When heated to decomposition it emits toxic fumes of NOx.
PSA: 299.11000
LogP: 10.63970
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    Propanedioic acid,2-butyl-, 1-(1,2-diphenylhydrazide), calcium salt, hydrate (4:2:1)

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Chemistry

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

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.

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.

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 .