Product Information
Chemical Formula: | C16H26N2O5S |
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Molecular Weight: | 358.45 |
Synonyms: | Cilastatin; (Z)-7-[(2S)-2-Amino-3-Hydroxy-3-Oxopropyl]Sulfanyl-2-[[(1S)-2,2-Dimethylcyclopropanecarbonyl]Amino]Hept-2-Enoic Acid; (R-(R*,S*-(Z)))-)Carbonyl)Amino); Mk-791; Cilastain; (2Z)-7-[[(2R)-2-Amino-2-Carboxyethyl]Thio]-2-[[[(1S)-2,2-Dimethylcyclopropyl]Carbonyl]Amino]-2-Heptenoic Acid; Cilastatin Acid; [R-[R^^?S^^(Z)]]-7-[(2-Amino-2-Carboxyethyl)Thio]-2-[[(2?2-Dimethylcyclopropyl)Carbonyl]Amino]-2-Heptenoic Acid |
MDL No.: | MFCD00867379 |
EINECS / EC No.: | 279-875-8 |
Pubchem CID: | 6435415 |
IUPAC Name: | (Z)-7-[(2R)-2-amino-2-carboxyethyl]sulfanyl-2-[[(1S)-2,2-dimethylcyclopropanecarbonyl]amino]hept-2-enoic acid |
Standard InchI: | InChI=1S/C16H26N2O5S/c1-16(2)8-10(16)13(19)18-12(15(22)23)6-4-3-5-7-24-9-11(17)14(20)21/h6,10-11H,3-5,7-9,17H2,1-2H3,(H,18,19)(H,20,21)(H,22,23)/b12-6-/t10-,11+/m1/s1 |
InchI Key: | DHSUYTOATWAVLW-WFVMDLQDSA-N |
SMILES: | CC1(CC1C(=O)NC(=CCCCCSCC(C(=O)O)N)C(=O)O)C |
Appearance: | white to light-yellow crystalline powder |
Melting Point: | N/A |
Boiling Point: | 655.5 °C at 760 mmHg |
Density (Theoretical): | 1.275 g/cm3 |
Refractive Index: | 1.569 |
Safety Information
Signal Word: | Warning |
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Hazard Statements: | H302-H315-H319-H335 |
Precautionary Statements: | P261-P305+P351+P338 |
Flash Point: | 350.2 °C |
Transportation Information: | N/A |
GHS Pictograms: |