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Details

Stereochemistry RACEMIC
Molecular Formula C14H21NO3
Molecular Weight 251.3214
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of AA-497 FREE BASE

SMILES

CC(C)N[C@H]1CCC2=C(CO)C(O)=CC=C2[C@@H]1O

InChI

InChIKey=BRGJIYTULBITAY-JSGCOSHPSA-N
InChI=1S/C14H21NO3/c1-8(2)15-12-5-3-9-10(14(12)18)4-6-13(17)11(9)7-16/h4,6,8,12,14-18H,3,5,7H2,1-2H3/t12-,14-/m0/s1

HIDE SMILES / InChI

Molecular Formula C14H21NO3
Molecular Weight 251.3214
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:33:21 GMT 2023
Edited
by admin
on Sat Dec 16 11:33:21 GMT 2023
Record UNII
I72SGB1D8W
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
AA-497 FREE BASE
Common Name English
1,6-NAPHTHALENEDIOL, 1,2,3,4-TETRAHYDRO-5-(HYDROXYMETHYL)-2-((1-METHYLETHYL)AMINO)-, TRANS-
Systematic Name English
Code System Code Type Description
CAS
59605-49-1
Created by admin on Sat Dec 16 11:33:21 GMT 2023 , Edited by admin on Sat Dec 16 11:33:21 GMT 2023
PRIMARY
FDA UNII
I72SGB1D8W
Created by admin on Sat Dec 16 11:33:21 GMT 2023 , Edited by admin on Sat Dec 16 11:33:21 GMT 2023
PRIMARY
PUBCHEM
16072176
Created by admin on Sat Dec 16 11:33:21 GMT 2023 , Edited by admin on Sat Dec 16 11:33:21 GMT 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT