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Details

Stereochemistry ABSOLUTE
Molecular Formula C16H19ClN2O.C4H6O6
Molecular Weight 440.875
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ROTOXAMINE TARTRATE

SMILES

O[C@H]([C@@H](O)C(O)=O)C(O)=O.CN(C)CCO[C@@H](C1=CC=C(Cl)C=C1)C2=CC=CC=N2

InChI

InChIKey=YNDXBZSTECRKLI-RAUFAAFNSA-N
InChI=1S/C16H19ClN2O.C4H6O6/c1-19(2)11-12-20-16(15-5-3-4-10-18-15)13-6-8-14(17)9-7-13;5-1(3(7)8)2(6)4(9)10/h3-10,16H,11-12H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10)/t16-;1-,2-/m01/s1

HIDE SMILES / InChI

Molecular Formula C4H6O6
Molecular Weight 150.0868
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula C16H19ClN2O
Molecular Weight 290.788
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 16:24:40 UTC 2023
Edited
by admin
on Fri Dec 15 16:24:40 UTC 2023
Record UNII
90897H496X
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ROTOXAMINE TARTRATE
Common Name English
CARBINOXAMINE L-FORM D-TARTRATE [MI]
Common Name English
CARBINOXAMINE L-FORM D-TARTRATE
MI  
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C29578
Created by admin on Fri Dec 15 16:24:40 UTC 2023 , Edited by admin on Fri Dec 15 16:24:40 UTC 2023
Code System Code Type Description
ChEMBL
CHEMBL1552819
Created by admin on Fri Dec 15 16:24:40 UTC 2023 , Edited by admin on Fri Dec 15 16:24:40 UTC 2023
PRIMARY
PUBCHEM
118984414
Created by admin on Fri Dec 15 16:24:40 UTC 2023 , Edited by admin on Fri Dec 15 16:24:40 UTC 2023
PRIMARY
CAS
49746-00-1
Created by admin on Fri Dec 15 16:24:40 UTC 2023 , Edited by admin on Fri Dec 15 16:24:40 UTC 2023
PRIMARY
MERCK INDEX
m3070
Created by admin on Fri Dec 15 16:24:40 UTC 2023 , Edited by admin on Fri Dec 15 16:24:40 UTC 2023
PRIMARY Merck Index
NCI_THESAURUS
C76678
Created by admin on Fri Dec 15 16:24:40 UTC 2023 , Edited by admin on Fri Dec 15 16:24:40 UTC 2023
PRIMARY
FDA UNII
90897H496X
Created by admin on Fri Dec 15 16:24:40 UTC 2023 , Edited by admin on Fri Dec 15 16:24:40 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY