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Noracymethadol Hydrochloride

CAT: 0572-TRC-N500500-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-N500500-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
5633-25-0
Synonyms
Benzeneethanol, α-ethyl-β-[2-(methylamino)propyl]-β-phenyl-, 1-acetate, hydrochloride (1:1); 3-Heptanol, 6-(methylamino)-4,4-diphenyl-, acetate (ester), hydrochloride (8CI); 3-Heptanol, 6-(methylamino)-4,4-diphenyl-, acetate, hydrochloride (7CI); Benzeneethanol, α-ethyl-β-[2-(methylamino)propyl]-β-phenyl-, acetate (ester), hydrochloride (9CI); 30109; 6-(Methylamino)-4,4-diphenyl-3-heptanol acetate hydrochloride; NIH 7667; Noracetylmethadol hydrochloride; Noracymethadol hydrochloride; dl-3-Acetoxy-4,4-diphenyl-6-methyl-aminoheptane hydrochloride
Hazard Statement
No Data Available
Smiles
Cl.CCC(OC(=O)C)C(CC(C)NC)(c1ccccc1)c2ccccc2
Molecular Formula
C22 H29 N O2 . H Cl
Molecular Weight
375.932
InChI
InChI=1S/C22H29NO2.ClH/c1-5-21(25-18(3)24)22(16-17(2)23-4,19-12-8-6-9-13-19)20-14-10-7-11-15-20;/h6-15,17,21,23H,5,16H2,1-4H3;1H
Additionnal Information
IUPAC name: [6-(methylamino)-4,4-diphenylheptan-3-yl] acetate;hydrochloride
Shipping Conditions
Room Temperature

Chemical Information

Noracymethadol Hydrochloride

See also: Noracymethadol (has active moiety).

CAS Number5633-25-0
PubChem CID11639413
IUPAC Name[6-(methylamino)-4,4-diphenylheptan-3-yl] acetate;hydrochloride
Molecular FormulaC22H30ClNO2
Molecular Weight375.9
Topological Polar Surface Area38.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count9
Heavy Atom Count26
Formal Charge0
Complexity379
SMILES
CCC(C(CC(C)NC)(C1=CC=CC=C1)C2=CC=CC=C2)OC(=O)C.Cl
InChI
InChI=1S/C22H29NO2.ClH/c1-5-21(25-18(3)24)22(16-17(2)23-4,19-12-8-6-9-13-19)20-14-10-7-11-15-20;/h6-15,17,21,23H,5,16H2,1-4H3;1H
InChIKey
QOWPUUFVFLIYRR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Noracymethadol Hydrochloride
CAS: 5633-25-0
CID: 11639413
Formula: C22H30ClNO2
MW: 375.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight375.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count9
Exact Mass375.1965069
Monoisotopic Mass375.1965069
Topological Polar Surface Area38.3 Ų
Heavy Atom Count26
Formal Charge0
Complexity379
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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