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Cilastatin

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Cilastatin / CAS : 82009-34-5

Appearance White to yellowish white amorphous solid, hygroscopic UN 0.0
HS 29309090 DG Class 0.0
Synonyms (2Z)-7-[[(2R)-2-Amino-2-Carboxyethyl]Thio]-2-[[[(1S)-2,2-Dimethylcyclopropyl]Carbonyl]Amino]-2-Heptenoic Acid; Cilastatin Acid; (Z)-7-[(2S)-2-Amino-3-Hydroxy-3-Oxopropyl]Sulfanyl-2-[[(1S)-2,2-Dimethylcyclopropanecarbonyl]Amino]Hept-2-Enoic Acid; (Z)-7-[(2R)-2-Amino-2-Carboxyethyl]Sulfanyl-2-[[(1S)-2,2-Dimethylcyclopropanecarbonyl]Amino]Hept-2-Enoic Acid; (Z)-7-[(2R)-(2-Amino-2-Carboxyethyl)Thio]-2-((1S)-2,2-Dimethylcyclopropanecarboxamido)-2-Heptenoic Acid; (Z)-7-[(2R)-2-Amino-2-Carboxyethyl]Sulfanyl-2-[[(1S)-2,2-Dimethylcyclopropanecarbonyl]Amino]He; [R-[R*,S*-(Z)]]-7-[(2-Amino-2-Carboxyethyl)Thio]-2-[[(2,2-Dimethylcyclopropyl)Carbonyl]Amino]-2-Heptenoic Acid; Cilastatin Ammonium Salt; Cilastatin Monosodium Salt
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Properties

Summary

Formula
C16H26N2O5S
Molecular Mass
358.45300
Exact Mass
358.15600
PSA
155.02000
Logp
2.52380
IUPAC
(Z)-7-[(2R)-2-amino-2-carboxyethyl]sulfanyl-2-[[(1S)-2,2-dimethylcyclopropanecarbonyl]amino]hept-2-enoic acid
SMILES
CC1(CC1C(=O)NC(=CCCCCSCC(C(=O)O)N)C(=O)O)C

Attribute classification

Matter Classification
organic
Category
API & Intermediate > Pharmaceutical Raw Materials
API & Intermediate > Pharmaceutical Intermediates

Chemical and Physical Properties

Melting Point
156-158ºC
Density
1.275 g/cm3
Boiling Point
655.5ºC
Flash Point
350.2ºC
Appearance
White to yellowish white amorphous solid, hygroscopic
Acidity and Basicity
neutral

Export information

HS Code
29309090
Export Rebate
13%
UN No.
0.0
DG-Class
0.0
Risk Code
R36/37/38
Safety Label
Xi

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