Basic information
- CAS
82789-18-2- Standard SMILES
O=C(O)C1Cc2c([nH]c3ccccc23)C(c2ccccc2)N1- InChIKey
ZJSUEWDIHUPPRO-UHFFFAOYSA-N- Molecular formula
- C18H16N2O2
- Average molar mass
- 292.3 g/mol
- Monoisotopic mass
- 292.12117776
Overview
1-Phenyl-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid is a harmala alkaloid.
Names & identifiers
- Preferred name
- 1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
- IUPAC
- 1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
- English name
- 1-Phenyl-2,3,4,9-tetrahydro-1H-B-carboline-3-carboxylic acid
- Molecular formula
- C18H16N2O2
- Molecular weight
- 292.33
Names & synonyms
82789-18-21-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid1-Phenyl-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid1-Phenyl-tetrahydro-beta-carboline-3-carboxylic acid1-phenyl-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-3-carboxylic acidCCRIS 64881-phenyl-1,2,3,4-tetrahydrobeta-carboline-3-carboxylic acidNSC88058Enamine_004881SCHEMBL764194CHEMBL442956CHEBI:172378
Show more names
AKOS BC-3180TOSLAB 531077TIMTEC-BB SBB0073711-Phenyl-2,3,4,9-tetrahydro-1H-β-carboline-3-carboxylic Acid2,3,4,9-Tetrahydro-1-phenyl-1H-pyrido[3,4-b]indole-3-carboxylic acid1H-Pyrido[3,4-b]indole-3-carboxylic acid, 2,3,4,9-tetrahydro-1-phenyl-
DTXSID601002887HMS1407N191-phenyl-2,3,4,9-tetrahydro-1h-b-carboline-3-carboxylic acidHDA78918CCG-23544EBC-13351NSC 88058NSC-88058
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 65.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 421
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H317
- Precautionary statements
- 501 · P501-P261-P272-P270-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P333+P313-P301+P312+P330
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H317
- Precautionary statements
- P501-P261-P272-P270-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P333+P313-P301+P312+P330
Chemistry & industry
Suppliers2 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
Nanjing Moldeep Biochemical Co., Ltd.+86-25-58282389 +86-17351037455 · [email protected]
Additional notes
DefinitionChEBI: 1-Phenyl-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid is a harmala alkaloid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…