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Dihydro-b-erythroidine hydrobromide

CAT: 0926-BD162627-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0926-BD162627-01Size:1 mg
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CAS Number
29734-68-7
Synonyms
(2S,13bS) -2,3,5,6,8,9,10,13-Octahydro-2-methoxy-1H,12H-Benzo[i]pyrano[3,4-g]indolizin-12-one hydrobromide
MDL Number
MFCD00153793
Smiles
Br.CO[C@H]1CC=C2CCN3CCC4=C (CC (=O) OC4) [C@]23C1
Molecular Formula
C16H21NO3HBr
Molecular Weight
356.25 g/mol
Controlled
No

Chemical Information

1H,12H-Pyrano(4',3':3,4)pyrido(2,1-i)indol-12-one, 2,3,5,6,8,9,10,13-octahydro-2-methoxy-, hydrobromide (1:1), (2S,13bS)-

Dihydro-beta-erythroidine hydrobromide is a member of indoles.

CAS Number29734-68-7
PubChem CID11957537
IUPAC Name(1S,16S)-16-methoxy-5-oxa-10-azatetracyclo[8.7.0.01,13.02,7]heptadeca-2(7),13-dien-4-one;hydrobromide
Molecular FormulaC16H22BrNO3
Molecular Weight356.25
Topological Polar Surface Area38.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count21
Formal Charge0
Complexity522
SMILES
CO[C@H]1CC=C2CCN3[C@]2(C1)C4=C(CC3)COC(=O)C4.Br
InChI
InChI=1S/C16H21NO3.BrH/c1-19-13-3-2-12-5-7-17-6-4-11-10-20-15(18)8-14(11)16(12,17)9-13;/h2,13H,3-10H2,1H3;1H/t13-,16-;/m0./s1
InChIKey
GFIGWAJEIMHJJB-LINSIKMZSA-N
Chemical Structure
2D Structure
2D structure of 1H,12H-Pyrano(4',3':3,4)pyrido(2,1-i)indol-12-one, 2,3,5,6,8,9,10,13-octahydro-2-methoxy-, hydrobromide (1:1), (2S,13bS)-
CAS: 29734-68-7
CID: 11957537
Formula: C16H22BrNO3
MW: 356.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight356.25
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass355.07831
Monoisotopic Mass355.07831
Topological Polar Surface Area38.8 Ų
Heavy Atom Count21
Formal Charge0
Complexity522
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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