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Home> Encyclopedia >   /  Pharmaceutical Intermediates  /  Organic Intermediate  /  Organic Intermediates  /  Others  /  Pharmaceuticals and Biochemicals
Prandimet structure
Prandimet structure

Prandimet

Iupac Name:2-[(2-aminoacetyl)amino]acetic acid
CAS No.:556-50-3
Molecular Weight:132.119
1. Names and Identifiers
1.1 Name
Prandimet
1.2 Synonyms

1235986-95-4 Metformin / Repaglinide Metformin mixture with Repaglinide Prandimet Repaglinide / metformin Repaglinide, mixt. with metformin hydrochloride

1.3 CAS No.
556-50-3
1.4 CID
11163
1.5 Molecular Formula
C8H6F5NO (isomer)
1.6 Inchi
InChI=1S/C4H8N2O3/c5-1-3(7)6-2-4(8)9/h1-2,5H2,(H,6,7)(H,8,9)
1.7 InChkey
YMAWOPBAYDPSLA-UHFFFAOYSA-N
1.8 Canonical Smiles
C(C(=O)NCC(=O)O)N
1.9 Isomers Smiles
C(C(=O)NCC(=O)O)N
2. 3D Conformer
3. Properties
3.1 Melting Point
262-264℃
3.2 Refractive Index
1.4880 (estimate)
4. Safety and Handling
4.1 Risk Statements
R36
4.2 Safety Statements
S24/25
5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Eye irritation, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H319 Causes serious eye irritation

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

Response

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

P337+P313 If eye irritation persists: Get medical advice/attention.

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

6. Computational chemical data
  • Molecular Weight:132.119g/mol
  • Molecular Formula:C8H6F5NO
  • Compound Is Canonicalized:True
  • XLogP3-AA:_2.9
  • Exact Mass:132.053
  • Monoisotopic Mass:132.053
  • Complexity:123
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:3
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:92.4A^2
  • Heavy Atom Count:9
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADccBjMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgAQCAAAAADBgAQACALAAgAI AAGQGAAAAAAAAAAAAICIAAACQAAAACAQAAAAFgCQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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