沙格列汀一水合物

Description

Saxagliptin monohydrate · CAS 945667-22-1 · C18H25N3O2. UNII 8I7IO46IVQ.

Identification

CAS Registry Number	945667-22-1
PubChem CID	11243969
Molecular formula	C18H25N3O2
IUPAC name	(1S,3S,5S)-2-[(2S)-2-amino-2-(3-hydroxy-1-adamantyl)acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile
UNII (FDA)	8I7IO46IVQ

Computed Descriptors

Molecular Weight	315.4
XLogP3	0.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	315.19467705
Monoisotopic Mass	315.19467705
Topological Polar Surface Area	90.4
Heavy Atom Count	23
Formal Charge	0

Physical description & handling notes

• Solid
• Sparingly soluble
• White to yellow or light brown, non-hygroscopic, crystalline powder; sparingly soluble in water at 24 °C; slightly soluble in ethyl acetate; soluble in methanol, ethanol, isopropyl alcohol; acetonitrile, acetone, and polyethylene glycol 400 /Saxagliptin monohydrate/
• Table: Saxagliptin Hydrochloride Preparations [Table#8180]
• Table: Saxagliptin Hydrochloride Combinations Preparations [Table#8181]

GHS Hazard Classification

Reported hazard statements	H317 (100%), H334 (100%), H372 (100%)

Documented Uses

• Preparation: J. A. Robl et al., World Intellectual Property Organization patent 0168603; eidem, United States of America patent 6395767 (2001, 2002 both to Bristol-Myers Squibb).
• Treatment of type 2 diabetes mellitus to improve glycemic control in combination with other agents or as monotherapy.
• Saxagliptin is a dipeptidyl peptidase-4 (DPP-4) inhibitor which is used in combination with diet and exercise in the therapy of type 2 diabetes, either alone or in combination with other oral hypoglycemic agents. Saxagliptin is a relatively new medication and has yet to be implicated in causing clinically apparent liver injury.
• Breast Feeding; Lactation; Milk, Human; Hypoglycemic Agents; Incretins; Dipeptidyl-Peptidase IV Inhibitors; DPP-4 Inhibitors
• Onglyza is indicated as an adjunct to diet and exercise to improve glycemic control in adults with type 2 diabetes mellitus in multiple clinical settings. /Included in US product label/
• Onglyza should not be used for the treatment of type 1 diabetes mellitus or diabetic ketoacidosis, as it would not be effective in these settings.

Synonyms

Saxagliptin; 361442-04-8; BMS-477118; Saxagliptin anhydrous; BMS 477118; Saxagliptine; DTXSID7048580; 8I7IO46IVQ; (1S,3S,5S)-2-[(2S)-2-amino-2-(3-hydroxy-1-adamantyl)acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile; DTXCID3028506; BMS477118; CHEBI:71272; Saxagliptina; NSC760407; (1S,3S,5S)-2-[(2S)-2-amino-2-(3-hydroxyadamantan-1-yl)acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile; NSC-760407

Frequently Asked Questions

What are the CAS number and molecular formula of Saxagliptin monohydrate?

CAS 945667-22-1; molecular formula C18H25N3O2; molecular weight — g/mol.

What other names is Saxagliptin monohydrate known by?

Saxagliptin, 361442-04-8, BMS-477118, Saxagliptin anhydrous, BMS 477118, Saxagliptine.

Is Saxagliptin monohydrate classified as hazardous?

Hazard statements reported: H317, H334, H372.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.