7-(1,2-Dimethylheptyl)-2,2-dimethyl-4-(4-pyridinyl)-2H-1-benzopyran-5-ol

HCID 71885

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Basic information

CAS: 16985-03-8
Standard SMILES: CCCCCC(C)C(C)c1cc(O)c2c(c1)OC(C)(C)C=C2c1ccncc1
InChIKey: YHUDSHIRWOVVCV-UHFFFAOYSA-N
Molecular formula: C25H33NO2
Average molar mass: 379.5 g/mol
Monoisotopic mass: 379.2511293

Overview

structure given in first source

Names & identifiers

Preferred name: 7-(1,2-Dimethylheptyl)-2,2-dimethyl-4-(4-pyridinyl)-2H-1-benzopyran-5-ol
IUPAC: 2,2-dimethyl-7-(3-methyloctan-2-yl)-4-pyridin-4-ylchromen-5-ol
English name: Nonabine
Molecular formula: C25H33NO2
Molecular weight: 379.541

Names & synonyms

Nonabine16985-03-8NonabinumBRL-4664nonabina2,2-dimethyl-7-(3-methyloctan-2-yl)-4-pyridin-4-ylchromen-5-ol77DUK856J77-(1,2-dimethylheptyl)-2,2-dimethyl-4-(4-pyridinyl)-2H-1-benzopyran-5-olRefChem:166409BRL 46642H-1-Benzopyran-5-ol, 7-(1,2-dimethylheptyl)-2,2-dimethyl-4-(4-pyridyl)-Nonabino

Show more names

7-(1,2-dimethylheptyl)-2,2-dimethyl-4-(4-pyridyl)chromen-5-ol2,2-dimethyl-7-(3-methyloctan-2-yl)-4-pyridin-4-yl-chromen-5-ol2H-1-Benzopyran-5-ol, 7-(1,2-dimethylheptyl)-2,2-dimethyl-4-(4-pyridinyl)-

7-(1,2-Dimethylheptyl)-2,2-dimethyl-4-(4-pyridyl)-2H-1-benzopyran-5-olNonabine [INN:BAN]Nonabinum [INN-Latin]Nonabino [INN-Spanish]UNII-77DUK856J72,2-dimethyl-7-(3-methyloctan-2-yl)-4-(pyridin-4-yl)-2h-chromen-5-olNONABINE [INN]GTPL9235

Database identifiers

CAS: 16985-03-8
PubChem CID

Properties

Computed structural properties

XLogP: 6.7
Topological polar surface area: 42.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 7
Heavy atoms: 28
Formal charge: 0
Complexity: 523

Physicochemical properties

form: Solid
color: White to off-white
FDA UNII: 77 DUK856J7 · 77DUK856J7

Chemistry & industry

Applications

UsesNonabine (BRL-4664), a cannabinoid, is a antiemetic agent. Nonabine activates CB1 receptor in the brainstem and enteric nervous system[1][2].

Upstream & downstream products

Upstream raw materials

1,3-Benzenediol, 5-(1,2-dimethylheptyl)-2-[3-hydroxy-3-methyl-1-(4-pyridinyl)-1-buten-1-yl]-2H-1-Benzopyran-4,5-diol, 7-(1,2-dimethylheptyl)-3,4-dihydro-2,2-dimethyl-4-(4-pyridinyl)-Lithium, 4-pyridinyl-

Suppliers7 total

北京博奥森生物技术有限公司400-901-9800 18611424007 · [email protected]

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

上海立崎生物医学研究中心18014399201 · [email protected]

TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]

Alchem Pharmtech,Inc.8485655694 · [email protected]

Related reactions

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Compound notes

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