3-Nortropanol, 8-(3-(2-chlorophenothiazin-10-yl)propyl)-, ethanesulfonate
Basic information
- CAS
63907-10-8- Standard SMILES
CCS(=O)(=O)O.OC1CC2CCC(C1)N2CCCN1c2ccccc2Sc2ccc(Cl)cc21- InChIKey
TZDSHVRGWKAGEA-UHFFFAOYSA-N- Molecular formula
- C24H31ClN2O4S2
- Average molar mass
- 511.1 g/mol
- Monoisotopic mass
- 510.1413775
Names & identifiers
- Preferred name
- 3-Nortropanol, 8-(3-(2-chlorophenothiazin-10-yl)propyl)-, ethanesulfonate
- IUPAC
- 8-[3-(2-chlorophenothiazin-10-yl)propyl]-8-azabicyclo[3.2.1]octan-3-ol;ethanesulfonic acid
Names & synonyms
WIN 13645-563907-10-88-(3-(2-Chlorophenothiazin-10-yl)propyl)-3-nortropanol ethanesulfonate3-Nortropanol, 8-(3-(2-chlorophenothiazin-10-yl)propyl)-, ethanesulfonateRefChem:281397NSC59349MLS002693220CHEMBL252140NSC-59349DTXSID40980958HMS3080J188-[3-(2-chlorophenothiazin-10-yl)propyl]-8-azabicyclo[3.2.1]octan-3-ol; ethanesulfonic acid
Show more names
SMR001559181Ethanesulfonic acid, compd. with nortropanol der. (1:1)ethanesulfonic acid compound with 8-(3-(2-chloro-10H-phenothiazin-10-yl)propyl)-8-azabicyclo[3.2.1]octan-3-ol (1:1)Ethanesulfonic acid, compd. with 8-[3-(2-chloro-10H-phenothiazin-10-yl)propyl]-8-azabicyclo[3.2.1]octan-3-ol (1:1)Ethanesulfonic acid--8-[3-(2-chloro-10H-phenothiazin-10-yl)propyl]-8-azabicyclo[3.2.1]octan-3-ol (1/1)
Database identifiers
- CAS
63907-10-8- PubChem CID
- 246378
- DTXSID
DTXSID40980958- ChEMBL
CHEMBL252140
Properties
Computed structural properties
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 614
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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