beta-Erythroidine, dihydro-
Basic information
- CAS
23255-54-1- Standard SMILES
COC1CC=C2CCN3CCC4=C(CC(=O)OC4)C23C1- InChIKey
ALSKYCOJJPXPFS-UHFFFAOYSA-N- Molecular formula
- C16H21NO3
- Average molar mass
- 275.34 g/mol
- Monoisotopic mass
- 275.15214353
Names & identifiers
- Preferred name
- beta-Erythroidine, dihydro-
- IUPAC
- 16-methoxy-5-oxa-10-azatetracyclo[8.7.0.01,13.02,7]heptadeca-2(7),13-dien-4-one
- English name
- FAUC73
- Molecular formula
- C16H21N1O3
- Molecular weight
- 205.34
Names & synonyms
NSC9965.beta.-Erythroidine, dihydro-6-methoxy-1,4,6,7,9,10,12,13-octahydro-3h,5h-pyrano[4',3':3,4]pyrido[2,1-i]indol-3-oneDH.beta.EERYTHROIDINE, DIHYDRO-SCHEMBL29766949BDBM86241DTXSID80945945NSC_31762CAS_23255-54-1b-idroeritroidinaDihydro-β-erythroidine
Show more names
Dihydro-b-erythroidinedihydro-beta-erythroidindihydro-beta-erythroidine1,6-didehydro-14,17-dihydro-3-methoxy-16(5h)-oxaerythrinan-15-on(3-beta)
Database identifiers
- CAS
23255-54-1- PubChem CID
- 222907
- DTXSID
DTXSID80945945
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 522
Physicochemical properties
- alpha
- 25 · D25 +102.5°
- storage temp.
- 20 °C · −20°C
- solubility
- 5 mg/mL · ethanol: 5mg/mL
- form
- solid
- color
- white
- FDA UNII
- 56 W7U63 · RBN56W7U63
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- WGK Germany
- 3 · 3
- RTECS
- 3325000 · KF3325000
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
- wgk
- 3
- rtecs
- KF3325000
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
Chemistry & industry
Applications
UsesDihydro-β-erythroidine is a a competitive nicotinic receptor antagonist. Dihydro-β-erythroidine blocks the discriminative stimulus properties of nicotine. Dihydro-β-erythroidine inhibits the anxiolytic effect of nicotine induced[1][2].
Additional notes
DefinitionChEBI: An organic heterotetracyclic compound resulting from the partial hydrogenation of the 1,3-diene moiety of beta-erythroidine to give the corresponding 2-ene.
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