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Hydrocotarnine Hydrochloride

CAT: 0572-TRC-H714710-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-H714710-100MGSize:100 mg
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CAS Number
5985-55-7
Synonyms
Hydrocotarnine Hydrochloride
Hazard Statement
Harmful if swallowed.
Smiles
Cl.COc1c2CN(C)CCc2cc3OCOc13
Molecular Formula
C12 H15 N O3 . Cl H
Molecular Weight
257.713
InChI
InChI=1S/C12H15NO3.ClH/c1-13-4-3-8-5-10-12(16-7-15-10)11(14-2)9(8)6-13;/h5H,3-4,6-7H2,1-2H3;1H
Additionnal Information
IUPAC name: 4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline;hydrochloride
Shipping Conditions
Room Temperature

Chemical Information

1,3-Dioxolo[4,5-g]isoquinoline, 5,6,7,8-tetrahydro-4-methoxy-6-methyl-, hydrochloride (1:1)

Hydrocotarnine hydrochloride is an organic molecular entity.

CAS Number5985-55-7
PubChem CID656658
IUPAC Name4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline;hydrochloride
Molecular FormulaC12H16ClNO3
Molecular Weight257.71
Topological Polar Surface Area30.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count17
Formal Charge0
Complexity261
SMILES
CN1CCC2=CC3=C(C(=C2C1)OC)OCO3.Cl
InChI
InChI=1S/C12H15NO3.ClH/c1-13-4-3-8-5-10-12(16-7-15-10)11(14-2)9(8)6-13;/h5H,3-4,6-7H2,1-2H3;1H
InChIKey
RIRUUBOQEZYITM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,3-Dioxolo[4,5-g]isoquinoline, 5,6,7,8-tetrahydro-4-methoxy-6-methyl-, hydrochloride (1:1)
CAS: 5985-55-7
CID: 656658
Formula: C12H16ClNO3
MW: 257.71
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight257.71
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass257.0818711
Monoisotopic Mass257.0818711
Topological Polar Surface Area30.9 Ų
Heavy Atom Count17
Formal Charge0
Complexity261
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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