Basic information
- CAS
66556-74-9- Standard SMILES
C#CCN1CCC2=C(C1)c1c(OC(=O)CCCN3CCCCC3)cc(C(C)C(C)CCCCC)cc1OC2(C)C- InChIKey
MCVPMHDADNVRKF-UHFFFAOYSA-N- Molecular formula
- C35H52N2O3
- Average molar mass
- 548.8 g/mol
- Monoisotopic mass
- 548.39779352
Overview
has significant intraocular pressure lowering effect; tetrahydropyridobenzopyran derived from cannabinoid; RN given refers to parent cpd; structure
Names & identifiers
- Preferred name
- 8-(1,2-Dimethylheptyl)-1,3,4,5-tetrahydro-5,5-dimethyl-2-(2-propyn-1-yl)-2H-(1)benzopyrano(4,3-c)pyridin-10-yl 1-piperidinebutanoate
- IUPAC
- [5,5-dimethyl-8-(3-methyloctan-2-yl)-2-prop-2-ynyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-10-yl] 4-piperidin-1-ylbutanoate
- English name
- Nabitan
- Molecular formula
- C35H52N2O3
- Molecular weight
- 548.8
Names & synonyms
NABITANBenzopyranoperidineNabutan66556-74-9JO7BOR6B3ODTXSID40867230RefChem:914468DTXCID208154318-(1,2-Dimethylheptyl)-1,3,4,5-tetrahydro-5,5-dimethyl-2-(2-propyn-1-yl)-2H-(1)benzopyrano(4,3-c)pyridin-10-yl 1-piperidinebutanoateNabitan [INN]NabitanumNabitanum [INN-Latin]
Show more names
( -)-8-(1,2-Dimethylheptyl)-2,3,4,5-tetrahydro-5,5-dimethyl-2-(2-propinyl)-1H-(1)benzopyrano(4,3-C)pyridin-10-yl 4-piperidinobutyrat( -)-8-(1,2-Dimethylheptyl)-1,3,4,5-tetrahydro-5,5-dimethyl-2-(2-propynyl)-2H-(1)benzopyrano(4,3-C)pyridin-10-yl 1-piperidinebutyrate1-Piperidinebutanoic acid, 8-(1,2-dimethylheptyl)-1,3,4,5-tetrahydro-5,5-dimethyl-2-(2-propynyl)-2H-(1)benzopyrano(4,3-C)pyridin-10-yl ester1-Piperidinebutanoic acid, 8-(1,2-dimethylheptyl)-1,3,4,5-tetrahydro-5,5-dimethyl-2-(2-propyn-1-yl)-2H-[1]benzopyrano[4,3-c]pyridin-10-yl ester
UNII-JO7BOR6B3O[5,5-dimethyl-8-(3-methyloctan-2-yl)-2-prop-2-ynyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-10-yl] 4-piperidin-1-ylbutanoateSCHEMBL489154CHEMBL2110593SCHEMBL31402797(+-)-8-(1,2-Dimethylheptyl)-1,3,4,5-tetrahydro-5,5-dimethyl-2-(2-propynyl)-2H-(1)benzopyrano(4,3-c)pyridin-10-yl 1-piperidinebutyrate(+-)-8-(1,2-Dimethylheptyl)-2,3,4,5-tetrahydro-5,5-dimethyl-2-(2-propinyl)-1H-(1)benzopyrano(4,3-c)pyridin-10-yl 4-piperidinobutyratQ1962034
Database identifiers
- CAS
66556-74-9- PubChem CID
- 39503
- DTXSID
DTXSID40867230- ChEMBL
CHEMBL2110593- UNII
- JO7BOR6B3O
- Nikkaji
- J238.709C
Properties
Computed structural properties
- XLogP
- 6.9
- Topological polar surface area
- 42 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 13
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 911
Physicochemical properties
- FDA UNII
- 7 BOR6B3O · JO7BOR6B3O
Chemistry & industry
Applications
UsesAnalgesic.
Suppliers1 total
Lanospharma Laboratories Co.,Ltd13440048448 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…