Cilastatin

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Names

[ CAS No. ]:
82009-34-5

[ Name ]:
Cilastatin

[Synonym ]:
EINECS 279-875-8
Cilastatin acid
Cilastatine [French]
Cilastatinum
Cilastatine
Cilastatin
Cilastatin Monosodium Salt
Cilastatina [Spanish]
(Z)-7-[(2R)-2-amino-2-carboxyethyl]sulfanyl-2-[[(1S)-2,2-dimethylcyclopropanecarbonyl]amino]hept-2-enoic acid
MFCD01723686
Cilastatinum [Latin]
[R-[R*,S*-(Z)]]-7-[(2-amino-2-carboxyethyl)thio]-2-[[(2,2-dimethylcyclopropyl)carbonyl]amino]-2-heptenoic acid
Cilastatina
(Z)-7-[(2R)-(2-amino-2-carboxyethyl)thio]-2-((1S)-2,2-dimethylcyclopropanecarboxamido)-2-heptenoic acid

Chemical & Physical Properties

[ Density]:
1.275 g/cm3

[ Boiling Point ]:
655.5ºC at 760 mmHg

[ Melting Point ]:
156-158ºC

[ Molecular Formula ]:
C16H26N2O5S

[ Molecular Weight ]:
358.45300

[ Exact Mass ]:
358.15600

[ PSA ]:
155.02000

[ LogP ]:
2.52380

[ Index of Refraction ]:
1.569

[ Storage condition ]:
-20°C Freezer

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
MJ9650100
CHEMICAL NAME :
2-Heptenoic acid, 7-((2-amino-2-carboxyethyl)thio)-2-(((2,2-dimethylcyc lopropyl)carbonyl) amino)-, (R-(R*,S*-(Z)))-
CAS REGISTRY NUMBER :
82009-34-5
LAST UPDATED :
198706
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C16-H26-N2-O5-S
MOLECULAR WEIGHT :
358.50

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Unreported
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
8 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
PHINDQ Pharmacy International. (Elsevier Science Pub. Co., Inc., 52 Vanderbilt Ave., New York, NY 10017) V.1- 1980- Volume(issue)/page/year: 5,133,1984
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Unreported
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
8 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
PHINDQ Pharmacy International. (Elsevier Science Pub. Co., Inc., 52 Vanderbilt Ave., New York, NY 10017) V.1- 1980- Volume(issue)/page/year: 5,133,1984

Safety Information

[ Hazard Codes ]:
Xi

[ Risk Phrases ]:
R36/37/38:Irritating to eyes, respiratory system and skin .

[ Safety Phrases ]:
S26-S36

[ WGK Germany ]:
3

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 7-Chloro-2-[[[(1S)-2,2-dimethylcyclopropyl]carbonyl]amino]-2-heptenoic acid
  • L-Cysteine hydrochloride anhydrous
  • (1S)-2,2-Dimethylcyclopropanecarboxamide
  • Ethyl 7-chloro-2-oxoheptanoate
  • 1,5-Dibromopentane
  • 2,2-Dimethylcyclopropanecarboxylic acid
  • 2,2-Dimethylcyclopropanecarboxylic acid
  • 7-bromo-2-oxoheptanoic acid
  • ethyl 7-bromo-2-oxoheptanoate
  • ethyl 2-(5-bromopentyl)-1,3-dithiane-2-carboxylate

DownStream

Related Compounds

  • Cilastatin
  • Cilastatine
  • (R,R)-Cilastatin
  • Cilastatin-15N,d3
  • Cilastatin natrium
  • Imipenem-cilastatin
  • Quinoxaline, 7-chloro-1,2,3,4-tetrahydro-1,3-dimethyl-
  • N-(propan-2-yl)methoxycarbohydrazide
  • 9-Methyl-9-azabicyclo[3.3.1]nonan-3-ol hydrochloride
  • 3-Ethyl-1-(6-methylpyridin-2-YL)pentan-1-amine
  • (2E)-2-[(8S,9S,10R,13S,14S)-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ylidene]propanoic acid
  • 2-Chloro-4,5,7-trimethylquinoline-3-carbaldehyde
  • 3-(Aminomethyl)-5,7-dimethoxyquinolin-2-ol
  • (5-cyclobutyl-1-pentyl-1H-1,2,3-triazol-4-yl)methanamine
  • 5-methyl-1-pentyl-1H-1,2,3-triazole-4-carboxamide
  • 2-(5-methyl-1-pentyl-1H-1,2,3-triazol-4-yl)ethan-1-amine
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