Atisine, N-dehydroxydihydro-
Basic information
- CAS
1634-83-9- Standard SMILES
C=C1C2CCC3(CCC4C5(C)CCCC4(CN(CC)C5)C3C2)C1O- InChIKey
AHLMTXKXKINJFW-UHFFFAOYSA-N- Molecular formula
- C22H35NO
- Average molar mass
- 329.5 g/mol
- Monoisotopic mass
- 329.27186474
Names & identifiers
- Preferred name
- Atisine, N-dehydroxydihydro-
- IUPAC
- 13-ethyl-11-methyl-5-methylidene-13-azapentacyclo[9.3.3.24,7.01,10.02,7]nonadecan-6-ol
Names & synonyms
ATISINE, N-DEHYDROXYDIHYDRO-N-Dehydroxydihydroatisine21-Ethyl-4-methylatid-16-en-15-ol1634-83-9NSC406048NSC 406048ethyl-methyl-methylene-[?]olDTXSID90936824NSC-406048
Database identifiers
- CAS
1634-83-9- PubChem CID
- 347387
- DTXSID
DTXSID90936824
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 23.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 572
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Compound notes
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