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101901-06-8,MFCD01694076
Catalog No.:AA0005SZ
101901-06-8 | Pyrano[3,4-b]indole-1-acetic acid, 1,8-diethyl-1,3,4,9-tetrahydro-6-hydroxy-
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Technical Information
Catalog Number:
AA0005SZ
Chemical Name:
Pyrano[3,4-b]indole-1-acetic acid, 1,8-diethyl-1,3,4,9-tetrahydro-6-hydroxy-
CAS Number:
101901-06-8
Molecular Formula:
C17H21NO4
Molecular Weight:
303.3529
MDL Number:
MFCD01694076
IUPAC Name:
2-(1,8-diethyl-6-hydroxy-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)acetic acid
InChI:
InChI=1S/C17H21NO4/c1-3-10-7-11(19)8-13-12-5-6-22-17(4-2,9-14(20)21)16(12)18-15(10)13/h7-8,18-19H,3-6,9H2,1-2H3,(H,20,21)
InChI Key:
GQHWDDBALZVXBU-UHFFFAOYSA-N
SMILES:
CCC1(OCCc2c1[nH]c1c2cc(cc1CC)O)CC(=O)O
Properties
Computed Properties
 
Complexity:
429  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.147g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
303.358g/mol
Monoisotopic Mass:
303.147g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
82.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  

Synonyms
 
6-Hydroxy Etodolac 
6-HYDROXYETODOLAC 
CTK0I0851 
AKOS030255416 
FT-0669629 
J-000513 
Pyrano[3,4-b]indole-1-acetic acid, 1,8-diethyl-1,3,4,9-tetrahydro-6-hydroxy- 
UNII-JCH8N6A1AY 
JCH8N6A1AY 
CCRIS 5403 
RAK-901 
BRN 6430398 
101901-06-8 
C17-H21-N-O4 
Pyrano(3,4-b)indole-1-acetic acid, 1,3,4,9-tetrahydro-1,8-diethyl-6-hydroxy- 
RAK 901 
Pyrano[3,4-b]indole-1-aceticacid, 1,8-diethyl-1,3,4,9-tetrahydro-6-hydroxy- 
1,8-Diethyl-1,3,4,9-tetrahydro-6-hydroxypyrano(3,4-b)indole-1-acetic acid 
1,8-Diethyl-1,3,4,9-tetrahydro-6-hydroxypyrano[3,4-b]indole-1-acetic Acid 
ACMC-20m4w7 
CHEMBL873 
SCHEMBL9142535 
Literature
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