Cilastatin sodium 5mg

CAT: 0628-A10886-5Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0628-A10886-5Size:5 mg

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CAS Number

81129-83-1

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 Number	81129-83-1
PubChem CID	23663403
IUPAC Name	sodium (Z)-7-[(2R)-2-amino-2-carboxyethyl]sulfanyl-2-[[(1S)-2,2-dimethylcyclopropanecarbonyl]amino]hept-2-enoate
Molecular Formula	C16H25N2NaO5S
Molecular Weight	380.4
Topological Polar Surface Area	158
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	11
Heavy Atom Count	25
Formal Charge	0
Complexity	525

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

CAS: 81129-83-1

CID: 23663403

Formula: C16H25N2NaO5S

MW: 380.4

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	380.4
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	11
Exact Mass	380.13818736
Monoisotopic Mass	380.13818736
Topological Polar Surface Area	158 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	525
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

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Alternative Products

Catalog	Name
C279-100MG	Cilastatin Sodium
HY-A0166A-01	Cilastatin (sodium)
GTR19272869-01	IMipenem and cilastatin sodium

Cilastatin sodium 5mg

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