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106292-67-5 | (5as,12r,14as)-12-(2-hydroxy-2-methylpropyl)-1,2,3,5a,6,11,12,14a-octahydro-5h,14h-pyrrolo[1'',2'':4',5']pyrazino[1',2':1,6]pyrido[3,4-b]indole-5,14-dione
CAS No: 106292-67-5 Catalog No: AG007D3V MDL No:
Product Description
Catalog Number:
AG007D3V
Chemical Name:
(5as,12r,14as)-12-(2-hydroxy-2-methylpropyl)-1,2,3,5a,6,11,12,14a-octahydro-5h,14h-pyrrolo[1'',2'':4',5']pyrazino[1',2':1,6]pyrido[3,4-b]indole-5,14-dione
CAS Number:
106292-67-5
Molecular Formula:
C21H25N3O3
Molecular Weight:
367.4415
IUPAC Name:
(1S,12R,15S)-12-(2-hydroxy-2-methylpropyl)-10,13,19-triazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-3(11),4,6,8-tetraene-14,20-dione
InChI:
InChI=1S/C21H25N3O3/c1-21(2,27)11-17-18-13(12-6-3-4-7-14(12)22-18)10-16-19(25)23-9-5-8-15(23)20(26)24(16)17/h3-4,6-7,15-17,22,27H,5,8-11H2,1-2H3/t15-,16-,17+/m0/s1
InChI Key:
RFFYLCRCNILFBP-YESZJQIVSA-N
SMILES:
O=C1N2CCC[C@H]2C(=O)N2[C@H]1Cc1c([C@H]2CC(O)(C)C)[nH]c2c1cccc2
Properties
Complexity:
651
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
367.19g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
367.449g/mol
Monoisotopic Mass:
367.19g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
76.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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