U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry RACEMIC
Molecular Formula C19H23NO3.CH4O3S
Molecular Weight 409.496
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of REBOXETINE MESYLATE

SMILES

CS(O)(=O)=O.[H][C@@]1(CNCCO1)[C@H](OC2=CC=CC=C2OCC)C3=CC=CC=C3

InChI

InChIKey=CGTZMJIMMUNLQD-STYNFMPRSA-N
InChI=1S/C19H23NO3.CH4O3S/c1-2-21-16-10-6-7-11-17(16)23-19(15-8-4-3-5-9-15)18-14-20-12-13-22-18;1-5(2,3)4/h3-11,18-20H,2,12-14H2,1H3;1H3,(H,2,3,4)/t18-,19-;/m1./s1

HIDE SMILES / InChI

Molecular Formula C19H23NO3
Molecular Weight 313.3908
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula CH4O3S
Molecular Weight 96.106
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 Fri Dec 15 15:33:39 UTC 2023
Edited
by admin
on Fri Dec 15 15:33:39 UTC 2023
Record UNII
L94J81YNNY
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
REBOXETINE MESYLATE
USAN   VANDF  
USAN  
Official Name English
(±)-(R*,S*)-2-((2-ETHOXYPHENOXY)PHENYLMETHYL)MORPHOLINE METHANESULFONATE
Systematic Name English
REBOXETINE METHANESULPHONATE
Common Name English
PROLIFT
Brand Name English
REBOXETINE METHANESULFONATE [MI]
Common Name English
(±)-(2R*)-2-((.ALPHA.S*)-.ALPHA.-(O-ETHOXYPHENOXY)BENZYL)MORPHOLINE METHANESULPHONATE
Common Name English
REBOXETINE MESILATE [MART.]
Common Name English
REBOXETINE MESYLATE [VANDF]
Common Name English
FCE-20124
Code English
(±)-(R*,S*)-2-((2-ETHOXYPHENOXY)PHENYLMETHYL)MORPHOLINE METHANESULPHONATE
Systematic Name English
FCE 20124
Code English
PNU-155950E
Code English
(±)-(2R*)-2-((.ALPHA.S*)-.ALPHA.-(O-ETHOXYPHENOXY)BENZYL)MORPHOLINE METHANESULFONATE
Common Name English
EDRONAX
Brand Name English
REBOXETINE MESYLATE [USAN]
Common Name English
REBOXETINE METHANESULFONATE
MI  
Common Name English
REBOXETINE MESILATE
MART.   WHO-DD  
Common Name English
Reboxetine mesilate [WHO-DD]
Common Name English
REBOXETINE METHANSULPHONATE
Common Name English
VESTRA
Brand Name English
Classification Tree Code System Code
NCI_THESAURUS C265
Created by admin on Fri Dec 15 15:33:39 UTC 2023 , Edited by admin on Fri Dec 15 15:33:39 UTC 2023
Code System Code Type Description
MERCK INDEX
m9514
Created by admin on Fri Dec 15 15:33:39 UTC 2023 , Edited by admin on Fri Dec 15 15:33:39 UTC 2023
PRIMARY Merck Index
ChEMBL
CHEMBL14370
Created by admin on Fri Dec 15 15:33:39 UTC 2023 , Edited by admin on Fri Dec 15 15:33:39 UTC 2023
PRIMARY
CAS
98769-82-5
Created by admin on Fri Dec 15 15:33:39 UTC 2023 , Edited by admin on Fri Dec 15 15:33:39 UTC 2023
SUPERSEDED
EPA CompTox
DTXSID8045690
Created by admin on Fri Dec 15 15:33:39 UTC 2023 , Edited by admin on Fri Dec 15 15:33:39 UTC 2023
PRIMARY
EVMPD
SUB36041
Created by admin on Fri Dec 15 15:33:39 UTC 2023 , Edited by admin on Fri Dec 15 15:33:39 UTC 2023
PRIMARY
USAN
KK-35
Created by admin on Fri Dec 15 15:33:39 UTC 2023 , Edited by admin on Fri Dec 15 15:33:39 UTC 2023
PRIMARY
FDA UNII
L94J81YNNY
Created by admin on Fri Dec 15 15:33:39 UTC 2023 , Edited by admin on Fri Dec 15 15:33:39 UTC 2023
PRIMARY
NCI_THESAURUS
C152163
Created by admin on Fri Dec 15 15:33:39 UTC 2023 , Edited by admin on Fri Dec 15 15:33:39 UTC 2023
PRIMARY
CAS
98769-84-7
Created by admin on Fri Dec 15 15:33:39 UTC 2023 , Edited by admin on Fri Dec 15 15:33:39 UTC 2023
PRIMARY
SMS_ID
100000128681
Created by admin on Fri Dec 15 15:33:39 UTC 2023 , Edited by admin on Fri Dec 15 15:33:39 UTC 2023
PRIMARY
PUBCHEM
127150
Created by admin on Fri Dec 15 15:33:39 UTC 2023 , Edited by admin on Fri Dec 15 15:33:39 UTC 2023
PRIMARY
DRUG BANK
DBSALT000890
Created by admin on Fri Dec 15 15:33:39 UTC 2023 , Edited by admin on Fri Dec 15 15:33:39 UTC 2023
PRIMARY
RXCUI
60841
Created by admin on Fri Dec 15 15:33:39 UTC 2023 , Edited by admin on Fri Dec 15 15:33:39 UTC 2023
PRIMARY RxNorm
Related Record Type Details
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY