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Details

Stereochemistry ABSOLUTE
Molecular Formula C9H9NO3.C5H13NO
Molecular Weight 282.3355
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DIMEPRANOL ACEDOBEN, (S)-

SMILES

C[C@H](O)CN(C)C.CC(=O)NC1=CC=C(C=C1)C(O)=O

InChI

InChIKey=FJFQBKRMSCKTSE-ZSCHJXSPSA-N
InChI=1S/C9H9NO3.C5H13NO/c1-6(11)10-8-4-2-7(3-5-8)9(12)13;1-5(7)4-6(2)3/h2-5H,1H3,(H,10,11)(H,12,13);5,7H,4H2,1-3H3/t;5-/m.0/s1

HIDE SMILES / InChI

Molecular Formula C5H13NO
Molecular Weight 103.1628
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula C9H9NO3
Molecular Weight 179.1727
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 10:38:19 GMT 2023
Edited
by admin
on Sat Dec 16 10:38:19 GMT 2023
Record UNII
WH5NCN796Q
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DIMEPRANOL ACEDOBEN, (S)-
Common Name English
BENZOIC ACID, 4-(ACETYLAMINO), (S)-
Systematic Name English
Code System Code Type Description
PUBCHEM
76964719
Created by admin on Sat Dec 16 10:38:19 GMT 2023 , Edited by admin on Sat Dec 16 10:38:19 GMT 2023
PRIMARY
FDA UNII
WH5NCN796Q
Created by admin on Sat Dec 16 10:38:19 GMT 2023 , Edited by admin on Sat Dec 16 10:38:19 GMT 2023
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER