Oxayohimbanium,3,4,...

Oxayohimbanium,3,4,5,6,16,17-hexadehydro-16-(methoxycarbonyl)-19-methyl-, chloride, (19a)- (9CI)(CAS No. 55322-91-3)

Oxayohimbanium,3,4,5,6,16,17-hexadehydro-16-(methoxycarbonyl)-19-methyl-, chloride, (19a)- (9CI)(CAS No. 55322-91-3)

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Oxayohimbanium,3,4,5,6,16,17-hexadehydro-16-(methoxycarbonyl)-19-methyl-, chloride, (19a)- (9CI) 55322-91-3 98%

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  • Appearance:Solid
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Details:

【Name】
Oxayohimbanium,3,4,5,6,16,17-hexadehydro-16-(methoxycarbonyl)-19-methyl-, chloride, (19a)- (9CI)
【CAS Registry number】
55322-91-3
【Synonyms】
Serpentine(alkaloid), chloride (8CI)
Serpentine chloride (6CI)
Indolo[2,3-a]pyrano[3,4-g]quinolizin-6-ium, oxayohimbanium deriv.
NSC 15626
【EINECS(EC#)】
259-590-5
【Molecular Formula】
C21H21 N2 O3 . Cl (Products with the same molecular formula)
【Molecular Weight】
0
【Inchi】
InChI=1/C21H22N2O3/c1-12-16-10-23-8-7-14-13-5-3-4-6-18(13)22-20(14)19(23)9-15(16)17(11-26-12)21(24)25-2/h3-8,11-12,15-16,19,22H,9-10H2,1-2H3
【Canonical SMILES】
CC1C2C[N+]3=C(CC2C(=CO1)C(=O)OC)C4=C(C=C3)C5=CC=CC=C5N4.[Cl-]
【Isomers smiles】
C[C@H]1[C@H]2C[N+]3=C(C[C@@H]2C(=CO1)C(=O)OC)C4=C(C=C3)C5=CC=CC=C5N4.
[Cl-]
Chemical and Physical Properties
【Density】
1.32g/cm3
【Boiling Point】
576°C at 760 mmHg
【Refractive Index】
1.676
【Flash Point】
302.1°C
【Computed Properties】
Molecular Weight:384.85604 [g/mol]
Molecular Formula:C21H21ClN2O3
H-Bond Donor:1
H-Bond Acceptor:4
Rotatable Bond Count:2
Exact Mass:384.12407
MonoIsotopic Mass:384.12407
Topological Polar Surface Area:55.2
Heavy Atom Count:27
Formal Charge:0
Complexity:606
Isotope Atom Count:0
Defined Atom Stereocenter Count:3
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:2

 

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