Cilastatin

CAS 82009-34-5C16H26N2O5SMW 358.5

Cilastatin (CAS 82009-34-5) — formula C16H26N2O5S, molecular weight 358.5.

Product Overview

CAS Number	82009-34-5
Molecular Formula	C16H26N2O5S
Molecular Weight	358.5
Melting Point	655.5
LogP	-1

Technical Profile

What this product is

Cilastatin is a chemical compound with CAS registry number 82009-34-5 and molecular formula C16H26N2O5S (molecular weight 358.5).

Identification

CAS number: 82009-34-5

Its molecular formula C16H26N2O5S comprises 16 C, 26 H, 2 N, 5 O, 1 S atoms.

Also known as: Cilastatin · 西司他丁

Frequently Asked Questions

What is the CAS number of Cilastatin?

The CAS registry number of Cilastatin is 82009-34-5.

What is the molecular formula and molecular weight of Cilastatin?

Molecular formula C16H26N2O5S, molecular weight 358.5.

What other names is Cilastatin known by?

It is also registered under: Cilastatin, 西司他丁.

PubChem Public Data

Independent reference data for Cilastatin (CAS 82009-34-5), compiled from public chemistry databases.

Registry identifiers across databases

CAS Registry Number	82009-34-5
PubChem CID	6435415
Molecular formula	C16H26N2O5S
IUPAC name	(Z)-7-[(2R)-2-amino-2-carboxyethyl]sulfanyl-2-[[(1S)-2,2-dimethylcyclopropanecarbonyl]amino]hept-2-enoic acid
UNII (FDA)	141A6AMN38

Computed descriptors

Molecular Weight	358.5
XLogP3	-1
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	11
Exact Mass	358.15624311
Monoisotopic Mass	358.15624311
Topological Polar Surface Area	155
Heavy Atom Count	24

Physicochemical values on record

Melting Point	655.5
Solubility	1.00e-01 g/L

Documented uses on record

Synonyms and trade names

Cilastatin; 82009-34-5; Cilastatina; Cilastatine; Cilastatinum; MK-791; 141A6AMN38; CHEBI:3697; (2Z)-7-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}-2-{[(1S)-2,2-dimethylcyclopropyl]formamido}hept-2-enoic acid; DTXSID8048238; MK791; MK0791; (Z)-(S)-6-carboxy-6-[(S)-2,2-dimethylcyclopropanecarboxamido]hex-5-enyl-L-cysteine; (L)-7-(2-Amino-2-carboxy-ethylsulfanyl)-2-[(2,2-dimethyl-cyclopropanecarbonyl)-amino]-hept-2-enoic acid; (Z)-7-[(2R)-2-amino-2-carboxyethyl]sulfanyl-2-[[(1S)-2,2-dimethylcyclopropanecarbonyl]amino]hept-2-enoic acid; (Z)-(S)-6-Carboxy-6-((S)-2,2-dimethylcyclopropanecarboxamido)hex-5-enyl-L-cysteine

GHS hazard classification

Reported hazard statements	H302 (100%), H312 (100%), H332 (100%)

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]

What the public record says

Cilastatin · CAS 82009-34-5 · C16H26N2O5S. UNII 141A6AMN38. Melting Point: 655.5; Solubility: 1.00e-01 g/L.

Physical description and handling notes

Source: PubChem / Wikidata; the batch COA governs where values differ.