Hexacyprone

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Names

[ CAS No. ]:
892-01-3

[ Name ]:
Hexacyprone

[Synonym ]:
Hexaciprono [INN-Spanish]
1-Benzyl-2-oxo-cyclohexanepropionic acid
Cyclohexanepropionic acid,1-benzyl-2-oxo
Hexacypronum [INN-Latin]
Hexacyprone
3-<1-Benzyl-2-oxo-cyclohexyl>-propionsaeure
Esaciprone [DCIT]
2-Oxo-1-benzylcyclohexylpropionsaeure

Chemical & Physical Properties

[ Density]:
1.139g/cm3

[ Boiling Point ]:
439.1ºC at 760 mmHg

[ Molecular Formula ]:
C16H20O3

[ Molecular Weight ]:
260.32800

[ Flash Point ]:
233.5ºC

[ Exact Mass ]:
260.14100

[ PSA ]:
54.37000

[ LogP ]:
3.22340

[ Index of Refraction ]:
1.546

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
GV6740000
CHEMICAL NAME :
Cyclohexanepropionic acid, 1-benzyl-2-oxo-
CAS REGISTRY NUMBER :
892-01-3
LAST UPDATED :
199612
DATA ITEMS CITED :
4
MOLECULAR FORMULA :
C16-H20-O3
MOLECULAR WEIGHT :
260.36
WISWESSER LINE NOTATION :
L6VTJ B2VQ B1R

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
2 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 162,54,1966
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
1200 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 162,54,1966
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
FRPSAX Farmaco, Edizione Scientifica. (Casella Postale 227, 27100 Pavia, Italy) V.8-43 1953-88 For publisher information, see FRMCE8 Volume(issue)/page/year: 20,393,1965
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
750 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 162,54,1966

Safety Information

[ HS Code ]:
2918300090

Synthetic Route

Precursor & DownStream

Precursor

  • 1-pyrrolidinocyclohexene
  • 2-benzylcyclohexanone
  • Benzyl chloride
  • 2-Benzyl-2-[2-cyan-aethyl]-cyclohexanon
  • 3-[1-Benzyl-2-oxo-cyclohexyl]-propionsaeure-methylester

DownStream

Customs

[ HS Code ]: 2918300090

[ Summary ]:
2918300090 other carboxylic acids with aldehyde or ketone function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0%


Related Compounds

  • Methyl 4-{[(2-thienylsulfonyl)acetyl]amino}benzoate
  • 1-(2-Methoxyphenyl)-4-[(2-thienylsulfonyl)acetyl]piperazine
  • 1-(4-(4-Fluorophenyl)piperazin-1-yl)-2-(thiophen-2-ylsulfonyl)ethanone
  • 1-(2-Fluorophenyl)-4-[(2-thienylsulfonyl)acetyl]piperazine
  • N-(3-chloro-4-methoxyphenyl)-2-(thiophen-2-ylsulfonyl)acetamide
  • N-(5-chloro-2-methoxyphenyl)-2-(thiophen-2-ylsulfonyl)acetamide
  • N-(3-fluoro-4-methylphenyl)-2-(thiophen-2-ylsulfonyl)acetamide
  • N-(5-chloro-2,4-dimethoxyphenyl)-2-(thiophen-2-ylsulfonyl)acetamide
  • N-(3,4-dimethoxyphenyl)-2-(thiophen-2-ylsulfonyl)acetamide
  • N-(1,3-benzodioxol-5-yl)-2-(thiophen-2-ylsulfonyl)acetamide
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