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Cilastatin Sodium

CAT: 0572-TRC-C441133-250MGSize: 250 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-C441133-250MGSize:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
81129-83-1
Synonyms
Cilastatin sodium; Sodium (Z)-7-[[(R)-2-amino-2-carboxyethyl]sulfanyl]-2-[[[(1S)-2,2-dimethylcyclopropyl]carbonyl]amino]hept-2-enoate; 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)- (9CI); Cilastatin sodium salt; L 642957; MK 791
Hazard Statement
Not a hazardous substance according to GHS.
Purity
>95% (HPLC)
Smiles
[Na+].CC1(C)C[C@@H]1C(=O)N\C(=C/CCCCSC[C@H](N)C(=O)O)\C(=O)[O-]
Molecular Formula
C16 H25 N2 O5 S . Na
Molecular Weight
380.43
InChI
InChI=1S/C16H26N2O5S.Na/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);/q;+1/p-1/b12-6-;/t10-,11+;/m1./s1
Additionnal Information
IUPAC name: sodium;(Z)-7-[(2R)-2-amino-2-carboxyethyl]sulfanyl-2-[[(1S)-2,2-dimethylcyclopropanecarbonyl]amino]hept-2-enoate
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Cilastatin Sodium

Cilastatin Sodium is the sodium salt form of cilastatin, a renal dehydropeptidase inhibitor, that can be used to inhibit the activity of renal dehydropeptidase. Upon administration of cilastatin sodium, cilastatin targets, binds to and inhibits the activity of renal dehydropeptidase. This reduces the breakdown of drugs, such as the broad spectrum beta-lactam carbapenem imipenem, by renal dehydropeptidase, and thereby increases the activity and therapeutic effect of such drugs that would otherwise be metabolized by renal dehydropeptidase.

CAS Number81129-83-1
PubChem CID23663403
IUPAC Namesodium (Z)-7-[(2R)-2-amino-2-carboxyethyl]sulfanyl-2-[[(1S)-2,2-dimethylcyclopropanecarbonyl]amino]hept-2-enoate
Molecular FormulaC16H25N2NaO5S
Molecular Weight380.4
Topological Polar Surface Area158
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count11
Heavy Atom Count25
Formal Charge0
Complexity525
SMILES
CC1(C[C@@H]1C(=O)N/C(=C\CCCCSC[C@@H](C(=O)O)N)/C(=O)[O-])C.[Na+]
InChI
InChI=1S/C16H26N2O5S.Na/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);/q;+1/p-1/b12-6-;/t10-,11+;/m1./s1
InChIKey
QXPBTTUOVWMPJN-QBNHLFMHSA-M
Chemical Structure
2D Structure
2D structure of Cilastatin Sodium
CAS: 81129-83-1
CID: 23663403
Formula: C16H25N2NaO5S
MW: 380.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight380.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count11
Exact Mass380.13818736
Monoisotopic Mass380.13818736
Topological Polar Surface Area158 Ų
Heavy Atom Count25
Formal Charge0
Complexity525
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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