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113785-48-1 | Azirino[2',3':3,4]pyrrolo[1,2-a]indole-8-methanol, 1,1a,2,8,8a,8b-hexahydro-7-hydroxy-4,8a-dimethoxy-5-methyl-6-nitroso-, α-carbamate, (1aS,8S,8aR,8bS)- (9CI)
CAS No: 113785-48-1 Catalog No: AG0009O7 MDL No:
Product Description
Catalog Number:
AG0009O7
Chemical Name:
Azirino[2',3':3,4]pyrrolo[1,2-a]indole-8-methanol, 1,1a,2,8,8a,8b-hexahydro-7-hydroxy-4,8a-dimethoxy-5-methyl-6-nitroso-, α-carbamate, (1aS,8S,8aR,8bS)- (9CI)
CAS Number:
113785-48-1
Molecular Formula:
C16H20N4O6
Molecular Weight:
364.3532
IUPAC Name:
[(4S,6S,7S,8R)-10-hydroxy-7,13-dimethoxy-12-methyl-11-nitroso-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(13),9,11-trien-8-yl]methyl carbamate
InChI:
InChI=1S/C16H20N4O6/c1-6-10(19-23)12(21)9-7(5-26-15(17)22)16(25-3)14-8(18-14)4-20(16)11(9)13(6)24-2/h7-8,14,18,21H,4-5H2,1-3H3,(H2,17,22)/t7-,8-,14-,16-/m0/s1
InChI Key:
NVDDGNSLJMPYKZ-HHBNPUPASA-N
SMILES:
CO[C@@]12[C@H]3N[C@H]3CN2c2c([C@H]1COC(=O)N)c(O)c(c(c2OC)C)N=O
Properties
Complexity:
607
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
364.138g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
364.358g/mol
Monoisotopic Mass:
364.138g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
146A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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