Nabitan Hydrochloride

HCID 39502
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Basic information

CAS
49637-08-3
Standard SMILES
C#CCN1CCC2=C(C1)c1c(OC(=O)CCCN3CCCCC3)cc(C(C)C(C)CCCCC)cc1OC2(C)C.Cl
InChIKey
KWXQFOPVLBPXHY-UHFFFAOYSA-N
Molecular formula
C35H53ClN2O3
Average molar mass
585.3 g/mol
Monoisotopic mass
584.37447124

Names & identifiers

Preferred name
Nabitan Hydrochloride
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;hydrochloride
English name
8-(1,2-dimethylheptyl)-1,3,4,5-tetrahydro-5,5-dimethyl-2-(2-propynyl)-2H-(1)benzopyrano(4,3-c)pyridin-10-yl ester, monohydrochloride
Molecular formula
C35H52N2O3.ClH
Molecular weight
0

Names & synonyms

NABITAN HYDROCHLORIDE49637-08-3Abbott 4056Nabitan HClNabitan hydrochloride [USAN]SP-106UNII-2F3L1A6VXENABUTAN HYDROCHLORIDE2F3L1A6VXESP 106Nabitan hydrochloride (USAN)1-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 ester monohydrochloride-
Show more names
A40656NabutamA-40656A 40656Abbott-406561-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 1-piperidinebutyrate monohydrochloride8-(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 monohydrochlorideRefChem:164382NIB[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;hydrochloride8-(1,2-dimethylheptyl)-1,3,4,5-tetrahydro-5,5-dimethyl-2-(2-propynyl)-2H-(1)benzopyrano(4,3-c)pyridin-10-yl ester, monohydrochlorideNabutan hyrochlorideAbbott-4056

Database identifiers

CAS
49637-08-3
PubChem CID
39502
DTXSID
DTXSID20964312
ChEMBL
CHEMBL2103940
UNII
2F3L1A6VXE

Properties

Computed structural properties

Topological polar surface area
42 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
13
Heavy atoms
41

Physicochemical properties

FDA UNII
2 F3L1A6VXE · 2F3L1A6VXE

Chemistry & industry

Applications

UsesAnalgesic.

Suppliers3 total

上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]

Related reactions

2 records
New reaction record

Compound notes

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