(3-endo)-8-(1-Methylethyl)-8-azabicyclo[3.2.1]octan-3-ol
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Basic information
- CAS
3423-23-2- Standard SMILES
CC(C)N1[C@@H]2CC[C@H]1CC(O)C2- InChIKey
RKUNBYITZUJHSG-UHFFFAOYSA-N- Molecular formula
- C10H19NO
- Average molar mass
- 169.26 g/mol
- Monoisotopic mass
- 169.14666423
Names & identifiers
- Preferred name
- (3-endo)-8-(1-Methylethyl)-8-azabicyclo[3.2.1]octan-3-ol
- IUPAC
- (1S,5R)-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol
- English name
- Atropine Impurity 4
- Molecular formula
- C17H23NO3
- Molecular weight
- 289.36942
Names & synonyms
(3-endo)-8-(1-Methylethyl)-8-azabicyclo[3.2.1]octan-3-ol(3-endo)-8-(1-Methylethyl)-8-azabicyclo(3.2.1)octan-3-olRefChem:400162N-Isopropylnortropine3423-23-2(1R,3r,5S)-8-isopropyl-8-azabicyclo[3.2.1]octan-3-olIpratropium Bromide Impurity 27Atropine Impurity 4Ipratropium Impurity 31N-IsopropylnorpseudotropineT58V3UVT6SNorpseudotropine, 8-isopropyl-
Show more names
YB-YS1
Ipratropium Bromide Impurity 29SCHEMBL13676329SCHEMBL18959372SCHEMBL21145769(1R,3S,5S)-8-isopropyl-8-azabicyclo[3.2.1]octan-3-olYYDQYSQZIUSKFN-MYJAWHEDSA-NF2599P34PPAKOS040768828
Database identifiers
- CAS
3423-23-2、3423-25-4- PubChem CID
- 820388
- UNII
- F2599P34PP、T58V3UVT6S
- Nikkaji
- J205.518J
Properties
Computed structural propertiesFilling in
- XLogP
- 1.6
- Topological polar surface area
- 23.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 155
Physicochemical properties
- InChI
- InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3
- InChIKey
- RKUNBYITZUJHSG-UHFFFAOYSA-N
- SMILES
- OCC(C1=CC=CC=C1)C(=O)OC1CC2N(C)C(CC2)C1
Chemistry & industry
Applications
UsesAtropine Impurity 4 is a tropane impurity reference standard, mainly used for the qualitative and quantitative detection of impurities in the liquid phase of ipratropium bromide, atropine raw materials and preparations, and for research on synthesis processes.
Related reactions
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Compound notes
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