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53912-94-0 | 1-(1,3-Benzodioxol-5-ylmethyl)-6,7-dimethoxy-4-[(2S)-1-methylpyrrolidin-2-yl]isoquinoline
CAS No: 53912-94-0 Catalog No: AG00DOC8 MDL No:
Product Description
Catalog Number:
AG00DOC8
Chemical Name:
1-(1,3-Benzodioxol-5-ylmethyl)-6,7-dimethoxy-4-[(2S)-1-methylpyrrolidin-2-yl]isoquinoline
CAS Number:
53912-94-0
IUPAC Name:
1-(1,3-benzodioxol-5-ylmethyl)-6,7-dimethoxy-4-[(2S)-1-methylpyrrolidin-2-yl]isoquinoline
InChI:
InChI=1S/C24H26N2O4/c1-26-8-4-5-20(26)18-13-25-19(9-15-6-7-21-24(10-15)30-14-29-21)17-12-23(28-3)22(27-2)11-16(17)18/h6-7,10-13,20H,4-5,8-9,14H2,1-3H3/t20-/m0/s1
InChI Key:
XISGRFQSYRKPNQ-FQEVSTJZSA-N
Properties
Complexity:
577
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
406.189g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
406.482g/mol
Monoisotopic Mass:
406.189g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
53A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
Literature
| Title | Journal |
|---|---|
| A five-step synthesis of (S)-macrostomine from (S)-nicotine. | Organic letters 20101015 |
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