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29734-68-7 | 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 No: 29734-68-7 Catalog No: AG002Z9K MDL No:
Product Description
Catalog Number:
AG002Z9K
Chemical Name:
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 Number:
29734-68-7
Molecular Formula:
C16H22BrNO3
Molecular Weight:
356.2548
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
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
InChI Key:
GFIGWAJEIMHJJB-LINSIKMZSA-N
SMILES:
CO[C@H]1CC=C2[C@]3(C1)N(CC2)CCC1=C3CC(=O)OC1.Br
UNII:
NS1U03GC05
Properties
Complexity:
522
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
355.078g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
356.26g/mol
Monoisotopic Mass:
355.078g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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