Home Carboxys Ibogamine-18-carboxylic acid, 3,4-didehydro-, methyl ester, (2α,5β,6α,18β)-

Ibogamine-18-carboxylic acid, 3,4-didehydro-, methyl ester, (2α,5β,6α,18β)-

CAS No.:
2468-21-5
Catalog Number:
AG002P0W
Molecular Formula:
C21H24N2O2
Molecular Weight:
336.4275
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
50mg
≥98%
1 week
United States
$98
- +
100mg
≥98%
1 week
United States
$136
- +
500mg
≥98%
1 week
United States
$432
- +
Product Description
Catalog Number:
AG002P0W
Chemical Name:
Ibogamine-18-carboxylic acid, 3,4-didehydro-, methyl ester, (2α,5β,6α,18β)-
CAS Number:
2468-21-5
Molecular Formula:
C21H24N2O2
Molecular Weight:
336.4275
MDL Number:
MFCD01753356
IUPAC Name:
methyl (1R,15R,18R)-17-ethyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8,16-pentaene-1-carboxylate
InChI:
InChI=1S/C21H24N2O2/c1-3-14-10-13-11-21(20(24)25-2)18-16(8-9-23(12-13)19(14)21)15-6-4-5-7-17(15)22-18/h4-7,10,13,19,22H,3,8-9,11-12H2,1-2H3/t13-,19+,21-/m0/s1
InChI Key:
CMKFQVZJOWHHDV-NQZBTDCJSA-N
SMILES:
CCC1=C[C@@H]2CN3[C@H]1[C@@](C2)(C(=O)OC)c1[nH]c2c(c1CC3)cccc2
EC Number:
219-586-6
UNII:
WT0YJV846J
Properties
Complexity:
603  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
3  
Defined Bond Stereocenter Count:
0
Exact Mass:
336.184g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
336.435g/mol
Monoisotopic Mass:
336.184g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
45.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Literature
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Properties