1H-Pyrido(3,4-b)indole-3-carboxylic acid, 2,3,4,9-tetrahydro-1-methyl-, cis-
Grundinformationen
- CAS
143396-05-8- Standard-SMILES
C[C@@H]1N[C@H](C(=O)O)Cc2c1[nH]c1ccccc21- InChIKey
ZUPHXNBLQCSEIA-CPCISQLKSA-N- Summenformel
- C13H14N2O2
- Durchschnittliche Molmasse
- 230,26 g/mol
- Monoisotopische Masse
- 230,10552769
Namen und Bezeichner
- Bevorzugter Name
- 1H-Pyrido(3,4-b)indole-3-carboxylic acid, 2,3,4,9-tetrahydro-1-methyl-, cis-
- IUPAC
- (1S,3S)-1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
- Englischer Name
- (1S,3S)-2,3,4,9-TETRAHYDRO-1-METHYL-1H-PYRIDO[3,4-B]INDOLE-3-CARBOXYLIC ACID
- Summenformel
- C13H14N2O2
- Molmasse
- 230.26
Namen und Synonyme
Y0QOR92AH5143396-05-82,3,4,9-Tetrahydro-1-methyl-1H-pyrido(3,4-b)indole-3-carboxylic acid, cis-1H-Pyrido(3,4-b)indole-3-carboxylic acid, 2,3,4,9-tetrahydro-1-methyl-, (1R,3R)-rel-RefChem:10585321H-Pyrido(3,4-b)indole-3-carboxylic acid, 2,3,4,9-tetrahydro-1-methyl-, cis-40678-46-4(1S,3S)-1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid(1S,3S)-2,3,4,9-TETRAHYDRO-1-METHYL-1H-PYRIDO[3,4-B]INDOLE-3-CARBOXYLIC ACID1H-Pyrido(3,4-b)indole-3-carboxylic acid, 2,3,4,9-tetrahydro-1-methyl-, (1S-cis)-(1S,3S)-1-methyl-1,2,3,4-tetrahydro-beta-carboline-3-carboxylic acidCHEMBL1811964
Weitere Namen anzeigen
1-Methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid(-)-(1S,3S)-MTCA(1S,3S)-Tryptophan EP Impurity I(1S,3S)-1-Methyl-1,2,3,4-tetrahydro-β-carboline-3-carboxylic acid(1S,3S)- 1-methyl-1,2,3,4-tetrahydro-beta-carboline-3-carboxylic acid1H-Pyrido[3,4-b]indole-3-carboxylic acid, 2,3,4,9-tetrahydro-1-methyl-, (1S,3S)-
84V68I4J8Y(1S-cis)-2,3,4,9-Tetrahydro-1-methyl-1H-pyrido(3,4-b)indole-3-carboxylic acid2,3,4,9-Tetrahydro-1-methyl-1H-pyrido(3,4-b)indole-3-carboxylic acid, cis-(-)-1H-Pyrido(3,4-b)indole-3-carboxylic acid, 2,3,4,9-tetrahydro-1-methyl-, cis-(+/-)-UNII-84V68I4J8YTryptophan Impurity 80UNII-Y0QOR92AH5SCHEMBL1934152
Datenbank-Bezeichner
- CAS
143396-05-8、40678-46-4- PubChem CID
- 148385
- DTXSID
DTXSID00193663- ChEMBL
CHEMBL1811964- UNII
- 84V68I4J8Y、Y0QOR92AH5
- Nikkaji
- J367.699D
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -0,8
- Polarare Oberfläche (TPSA)
- 65,1 Ų
- H-Brücken-Donoren
- 3
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 17
- Formalladung
- 0
- Komplexität
- 321
Physikochemische Eigenschaften
- Schmelzpunkt
- 290 · 290-293 °C
- Siedepunkt
- 488 · 488.0±45.0 °C(Predicted)
- Dichte
- 1.301 · 1.301±0.06 g/cm3(Predicted)
- pka
- 2.29 · 2.29±0.40(Predicted)
Chemie und Industrie
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