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Vomicine

CAT: 0926-AAA12515-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-AAA12515-02Size:50 mg
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CAS Number
125-15-5
MDL Number
MFCD00033661
Smiles
CN1CCC23C4C5C (CC2=O) C (=CCOC5CC (=O) N4C6=C3C=CC=C6O) C1
Molecular Formula
C22H24N2O4
Molecular Weight
380.4 g/mol
Controlled
No

Chemical Information

Vomicine

Vomicine is a member of carbazoles.

CAS Number125-15-5
PubChem CID101595
IUPAC Name(1S,10S,22R,23R,24S)-15-hydroxy-4-methyl-9-oxa-4,13-diazahexacyclo[11.6.5.01,24.06,22.010,23.014,19]tetracosa-6,14(19),15,17-tetraene-12,20-dione
Molecular FormulaC22H24N2O4
Molecular Weight380.4
XLogP-0.1
Topological Polar Surface Area70.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Heavy Atom Count28
Formal Charge0
Complexity766
SMILES
CN1CC[C@]23[C@@H]4[C@H]5[C@@H](CC2=O)C(=CCO[C@H]5CC(=O)N4C6=C3C=CC=C6O)C1
InChI
InChI=1S/C22H24N2O4/c1-23-7-6-22-14-3-2-4-15(25)20(14)24-18(27)10-16-19(21(22)24)13(9-17(22)26)12(11-23)5-8-28-16/h2-5,13,16,19,21,25H,6-11H2,1H3/t13-,16-,19-,21-,22+/m0/s1
InChIKey
ZMTYENXGROJCEA-LNKPQSDASA-N
Chemical Structure
2D Structure
2D structure of Vomicine
CAS: 125-15-5
CID: 101595
Formula: C22H24N2O4
MW: 380.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight380.4
XLogP3-0.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Exact Mass380.17360725
Monoisotopic Mass380.17360725
Topological Polar Surface Area70.1 Ų
Heavy Atom Count28
Formal Charge0
Complexity766
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS3613101-01Vomicine
HY-N2616RVomicine (Standard)

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