CID 62941
Basic information
- CAS
67244-90-0- Standard SMILES
C[C@@H](N)[C@@H](O)c1ccccc1.O=C(O)[C@H](O)[C@@H](O)C(=O)O- InChIKey
NCHHVLCKEUNWNJ-HHJRAVAGSA-N- Molecular formula
- C13H19NO7
- Average molar mass
- 301.29 g/mol
- Monoisotopic mass
- 301.11615195
Names & identifiers
- Preferred name
- CID 62941
- IUPAC
- (1S,2R)-2-amino-1-phenylpropan-1-ol;(2R,3R)-2,3-dihydroxybutanedioic acid
Names & synonyms
67244-90-0Phenylpropanolamine bitartratePHENYLPROPANOLAMINE BITARTRATE (100 MG) (LIST CHEMICAL)(1S,2R)-2-amino-1-phenylpropan-1-ol;(2R,3R)-2,3-dihydroxybutanedioic acid(1S,2R)-2-amino-1-phenylpropan-1-ol; (2R,3R)-2,3-dihydroxybutanedioic acid
Database identifiers
- CAS
67244-90-0- PubChem CID
- 62941
- ChEMBL
CHEMBL2146104- EC Number
- 266-617-4
Properties
Computed structural properties
- Topological polar surface area
- 161 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 244
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…