Guidechem | China Chemical Manufacturers,suppliers,B2B Marketplace
Encyclop..
  • Products
  • Encyclopedia
  • Buy offers
  • Suppliers
Home> Encyclopedia >
Bupivacaine  Impurity structure
Bupivacaine  Impurity structure

Bupivacaine Impurity

Iupac Name:(2S)-2,5-diamino-5-oxopentanoic acid
CAS No.: 56-85-9
Molecular Weight:146.1445
Modify Date.: 2022-04-18 03:19
1. Names and Identifiers
1.1 Name
Bupivacaine Impurity
1.2 Synonyms

Bupivacaine Impurity 12 Bupivacaine Impurity 4 Bupivacaine impurity 6/N-(2,6-dimethylphenyl)-1-[(1R)-1-methylpropyl]-(2S)-2-Piperidinecarboxamide Bupivacaine-001-SR

1.3 CAS No.
56-85-9
1.4 CID
5961
1.5 Molecular Formula
C48H73N11O13S (isomer)
1.6 Inchi
InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1
1.7 InChkey
ZDXPYRJPNDTMRX-VKHMYHEASA-N
1.8 Canonical Smiles
C(CC(=O)N)C(C(=O)O)N
1.9 Isomers Smiles
C(CC(=O)N)[C@@H](C(=O)O)N
2. Properties
3.1 Melting point
185℃
3.1 Boiling point
970.9±65.0 °C(Predicted)
3.1 Refractive index
6.8 ° (C=4, H2O)
3.1 Vapour pressure
1.9X10-8 mm Hg at 25 °C (est)
3.1 Precise Quality
146.06900
3.1 PSA
106.41000
3.1 logP
0.06440
3. Safety and Handling
4.1 Risk Statements
R36
4.1 Safety Statements
S24/25
4.1 RIDADR
NONH for all modes of transport
4.1 WGK Germany
2
4.1 RTECS
MA2275100
4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s) No symbol.
Signal word

No signal word.

Hazard statement(s)

none

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

5. Computational chemical data
  • Molecular Weight: 146.1445g/mol
  • Molecular Formula: C48H73N11O13S
  • Compound Is Canonicalized: True
  • XLogP3-AA: null
  • Exact Mass: 146.06914219
  • Monoisotopic Mass: 146.06914219
  • Complexity: 146
  • Rotatable Bond Count: 4
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 4
  • Topological Polar Surface Area: 106
  • Heavy Atom Count: 10
  • Defined Atom Stereocenter Count: 1
  • 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: AAADccBjMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgAQCAAACCjBgAQACABAAgAIAAGQGAAAAAAAAAAAAIGAAAACABIAgAAAQAAEEAAAAACcFwAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
6. Question & Answer
  • What is L-glutamine? L-glutamine, or just glutamine, is an amino acid. Amino acids are nutrients that help synthesize protein in the human body for nutrition. They can be found in protein-rich foods, including those from both plants and animals. Protein, in turn, is a necessary nutrient for good he...
8. Realated Product Infomation