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Details

Stereochemistry RACEMIC
Molecular Formula C11H17NO.C7H5NO3S
Molecular Weight 362.4451
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of METHYLEPHEDRINE SACCHARINATE, (+/-)-

SMILES

C[C@@]([H])([C@@]([H])(c1ccccc1)O)N(C)C.c1ccc2c(c1)C(=NS2(=O)=O)O

InChI

InChIKey=OJKNEDBDODVMFW-ROLPUNSJSA-N
InChI=1S/C11H17NO.C7H5NO3S/c1-9(12(2)3)11(13)10-7-5-4-6-8-10;9-7-5-3-1-2-4-6(5)12(10,11)8-7/h4-9,11,13H,1-3H3;1-4H,(H,8,9)/t9-,11-;/m0./s1

HIDE SMILES / InChI

Molecular Formula C11H17NO
Molecular Weight 179.2592
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula C7H5NO3S
Molecular Weight 183.1859
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 Jun 26 06:38:56 UTC 2021
Edited
by admin
on Sat Jun 26 06:38:56 UTC 2021
Record UNII
HOE706TKMV
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
METHYLEPHEDRINE SACCHARINATE, (+/-)-
Common Name English
DL-METHYLEPHEDRINE SACCHARINATE
JAN  
Common Name English
METHYLEPHEDRINE SACCHARINATE, DL-
Common Name English
BENZENEMETHANOL, .ALPHA.-(1-(DIMETHYLAMINO)ETHYL)-, (R*,S*)-(+/-)-, COMPD. WITH 1,2-BENZISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDE (1:1)
Common Name English
1,2-BENZISOTHIAZOL-3(2H)-ONE, 1,1-DIOXIDE, COMPD. WITH (.ALPHA.S)-.ALPHA.-((1R)-1-(DIMETHYLAMINO)ETHYL)BENZENEMETHANOL (1:1)
Common Name English
BENZENEMETHANOL, .ALPHA.-((1R)-1-(DIMETHYLAMINO)ETHYL)-, (.ALPHA.S)-REL-, COMPD. WITH 1,2-BENZISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDE (1:1)
Common Name English
DL-METHYLEPHEDRINE SACCHARINATE [JAN]
Common Name English
1,2-BENZISOTHIAZOL-3(2H)-ONE, 1,1-DIOXIDE, COMPD. WITH (.ALPHA.S)-REL-.ALPHA.-((1R)-1-(DIMETHYLAMINO)ETHYL)BENZENEMETHANOL (1:1)
Common Name English
Code System Code Type Description
ChEMBL
CHEMBL1589978
Created by admin on Sat Jun 26 06:38:56 UTC 2021 , Edited by admin on Sat Jun 26 06:38:56 UTC 2021
PRIMARY
PUBCHEM
50923279
Created by admin on Sat Jun 26 06:38:56 UTC 2021 , Edited by admin on Sat Jun 26 06:38:56 UTC 2021
PRIMARY
EPA CompTox
75011-63-1
Created by admin on Sat Jun 26 06:38:56 UTC 2021 , Edited by admin on Sat Jun 26 06:38:56 UTC 2021
PRIMARY
FDA UNII
HOE706TKMV
Created by admin on Sat Jun 26 06:38:56 UTC 2021 , Edited by admin on Sat Jun 26 06:38:56 UTC 2021
PRIMARY
CAS
75011-63-1
Created by admin on Sat Jun 26 06:38:56 UTC 2021 , Edited by admin on Sat Jun 26 06:38:56 UTC 2021
PRIMARY
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