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Details

Stereochemistry RACEMIC
Molecular Formula C12H17NO4.C2H2O4
Molecular Weight 329.3026
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DMMDA-2 OXALATE

SMILES

OC(=O)C(O)=O.COC1=C2OCOC2=CC(CC(C)N)=C1OC

InChI

InChIKey=SXWDYIHKPULNTF-UHFFFAOYSA-N
InChI=1S/C12H17NO4.C2H2O4/c1-7(13)4-8-5-9-11(17-6-16-9)12(15-3)10(8)14-2;3-1(4)2(5)6/h5,7H,4,6,13H2,1-3H3;(H,3,4)(H,5,6)

HIDE SMILES / InChI

Molecular Formula C12H17NO4
Molecular Weight 239.2677
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Molecular Formula C2H2O4
Molecular Weight 90.0349
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:07:14 GMT 2023
Edited
by admin
on Sat Dec 16 18:07:14 GMT 2023
Record UNII
HS3XX92RJR
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DMMDA-2 OXALATE
Common Name English
1,3-BENZODIOXOLE-5-ETHANAMINE, 6,7-DIMETHOXY-.ALPHA.-METHYL-, ETHANEDIOATE (1:1)
Systematic Name English
Code System Code Type Description
CAS
1443423-48-0
Created by admin on Sat Dec 16 18:07:14 GMT 2023 , Edited by admin on Sat Dec 16 18:07:14 GMT 2023
PRIMARY
FDA UNII
HS3XX92RJR
Created by admin on Sat Dec 16 18:07:14 GMT 2023 , Edited by admin on Sat Dec 16 18:07:14 GMT 2023
PRIMARY
PUBCHEM
90485910
Created by admin on Sat Dec 16 18:07:14 GMT 2023 , Edited by admin on Sat Dec 16 18:07:14 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE