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Details

Stereochemistry ABSOLUTE
Molecular Formula C16H19ClN2O
Molecular Weight 290.788
Optical Activity ( - )
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ROTOXAMINE

SMILES

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

InChI

InChIKey=OJFSXZCBGQGRNV-INIZCTEOSA-N
InChI=1S/C16H19ClN2O/c1-19(2)11-12-20-16(15-5-3-4-10-18-15)13-6-8-14(17)9-7-13/h3-10,16H,11-12H2,1-2H3/t16-/m0/s1

HIDE SMILES / InChI

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 16:26:34 UTC 2023
Edited
by admin
on Fri Dec 15 16:26:34 UTC 2023
Record UNII
VED9E376NC
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ROTOXAMINE
INN   USAN  
USAN   INN  
Official Name English
ROTOXAMINE [USAN]
Common Name English
CARBINOXAMINE, (S)-
Common Name English
rotoxamine [INN]
Common Name English
MCN-R-73-Z
Code English
Classification Tree Code System Code
NCI_THESAURUS C29578
Created by admin on Fri Dec 15 16:26:34 UTC 2023 , Edited by admin on Fri Dec 15 16:26:34 UTC 2023
Code System Code Type Description
INN
1036
Created by admin on Fri Dec 15 16:26:34 UTC 2023 , Edited by admin on Fri Dec 15 16:26:34 UTC 2023
PRIMARY
EPA CompTox
DTXSID40204146
Created by admin on Fri Dec 15 16:26:34 UTC 2023 , Edited by admin on Fri Dec 15 16:26:34 UTC 2023
PRIMARY
SMS_ID
100000084383
Created by admin on Fri Dec 15 16:26:34 UTC 2023 , Edited by admin on Fri Dec 15 16:26:34 UTC 2023
PRIMARY
PUBCHEM
170336
Created by admin on Fri Dec 15 16:26:34 UTC 2023 , Edited by admin on Fri Dec 15 16:26:34 UTC 2023
PRIMARY
CHEBI
59329
Created by admin on Fri Dec 15 16:26:34 UTC 2023 , Edited by admin on Fri Dec 15 16:26:34 UTC 2023
PRIMARY
ChEMBL
CHEMBL1552819
Created by admin on Fri Dec 15 16:26:34 UTC 2023 , Edited by admin on Fri Dec 15 16:26:34 UTC 2023
PRIMARY
EVMPD
SUB10392MIG
Created by admin on Fri Dec 15 16:26:34 UTC 2023 , Edited by admin on Fri Dec 15 16:26:34 UTC 2023
PRIMARY
FDA UNII
VED9E376NC
Created by admin on Fri Dec 15 16:26:34 UTC 2023 , Edited by admin on Fri Dec 15 16:26:34 UTC 2023
PRIMARY
CAS
5560-77-0
Created by admin on Fri Dec 15 16:26:34 UTC 2023 , Edited by admin on Fri Dec 15 16:26:34 UTC 2023
PRIMARY
NCI_THESAURUS
C73054
Created by admin on Fri Dec 15 16:26:34 UTC 2023 , Edited by admin on Fri Dec 15 16:26:34 UTC 2023
PRIMARY
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RACEMATE -> ENANTIOMER
SALT/SOLVATE -> PARENT
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ACTIVE MOIETY