Diacetylnadolol

HCID 134824

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 84742-92-7
Standard SMILES: CC(=O)OC1Cc2cccc(OCC(O)CNC(C)(C)C)c2CC1OC(C)=O
InChIKey: RMEPOLDBANNDKX-UHFFFAOYSA-N
Molecular formula: C21H31NO6
Average molar mass: 393.5 g/mol
Monoisotopic mass: 393.21513771

Names & identifiers

Preferred name: Diacetylnadolol
IUPAC: [3-acetyloxy-5-[3-(tert-butylamino)-2-hydroxypropoxy]-1,2,3,4-tetrahydronaphthalen-2-yl] acetate
English name: 2,3-Naphthalenediol, 5-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy) -1,2,3,4-tetrahydro-, 2,3-diacetate
Molecular formula: C21H31NO6
Molecular weight: 393.47

Names & synonyms

DiacetylnadololNadolol diacetate84742-92-72,3-Naphthalenediol, 5-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)-1,2,3,4-tetrahydro-, 2,3-diacetateRefChem:132573SCHEMBL31223218DTXSID6010050435-[3-(tert-Butylamino)-2-hydroxypropoxy]-1,2,3,4-tetrahydronaphthalene-2,3-diyl diacetate2,3-Naphthalenediol, 5-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy) -1,2,3,4-tetrahydro-, 2,3-diacetate

Database identifiers

CAS: 84742-92-7
PubChem CID: 134824
DTXSID: DTXSID601005043

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 94.1 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 7
Rotatable bonds: 10
Heavy atoms: 28
Formal charge: 0
Complexity: 531

Chemistry & industry

Suppliers2 total

HONEST JOY HOLDINGS LIMITED[email protected]

HBCChem Inc.[email protected]

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…