Cilastatin sodium
Properties
- Molecular formula
- C16H25N2NaO5S
- Molar mass
- 380.43 g/mol
- Exact mass
- 380.1382 Da
- logP
- 1.89Crippen estimate
- Polar surface area
- 133.2 Ų
- H-bond donors / acceptors
- 4 / 5
- Rotatable bonds
- 11
- Stereocentres
- S, Rin SMILES atom order
Hazards
No GHS classification is on file for this compound. That is not evidence that it is harmless.
Identifiers
CAS number
81129-83-1SMILES
CC1(C)C[C@@H]1C(=O)NC(=CCCCCSC[C@H](N)C([O-])=O)C(=O)O.[Na+]InChI
The InChI we hold for this record describes the parent acid and the metal separately rather than the salt above, so it is not shown here.
Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
6 names
- 2-Heptenoic acid, 7-[[(2R)-2-amino-2-carboxyethyl]thio]-2-[[[(1S)-2,2-dimethylcyclopropyl]carbonyl]amino]-, sodium salt (1:1), (2Z)-
- 2-Heptenoic acid, 7-[(2-amino-2-carboxyethyl)thio]-2-[[(2,2-dimethylcyclopropyl)carbonyl]amino]-, monosodium salt, [R-[R*,S*-(Z)]]-
- 2-Heptenoic acid, 7-[[(2R)-2-amino-2-carboxyethyl]thio]-2-[[[(1S)-2,2-dimethylcyclopropyl]carbonyl]amino]-, monosodium salt, (2Z)-
- MK 791
- L 642957
- Cilastatin sodium salt
Work with Cilastatin sodium
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
Tanimoto similarity of circular fingerprints over the whole catalogue.