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

Details

Stereochemistry ACHIRAL
Molecular Formula C16H23N5O.C4H4O4
Molecular Weight 417.4589
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of TEGASEROD MALEATE

SMILES

OC(=O)\C=C/C(O)=O.CCCCCNC(=N)N\N=C\C1=CNC2=C1C=C(OC)C=C2

InChI

InChIKey=CPDDZSSEAVLMRY-FEQFWAPWSA-N
InChI=1S/C16H23N5O.C4H4O4/c1-3-4-5-8-18-16(17)21-20-11-12-10-19-15-7-6-13(22-2)9-14(12)15;5-3(6)1-2-4(7)8/h6-7,9-11,19H,3-5,8H2,1-2H3,(H3,17,18,21);1-2H,(H,5,6)(H,7,8)/b20-11+;2-1-

HIDE SMILES / InChI
Molecular Formula C4H4O4
Molecular Weight 116.0722
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE
Molecular Formula C16H23N5O
Molecular Weight 301.3867
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Unknown
86413
Substance Class Chemical
Created
by admin
on Fri Dec 15 16:31:19 UTC 2023
Edited
by admin
on Fri Dec 15 16:31:19 UTC 2023
Record UNII
E5XNT3RF5A
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TEGASEROD MALEATE
MART.   MI   ORANGE BOOK   USAN   VANDF   WHO-DD  
USAN  
Official Name English
TEGASEROD MALEATE [MI]
Common Name English
Tegaserod maleate [WHO-DD]
Common Name English
3-(5-Methoxy-1H-indol-3-ylmethylene)-N-pentylcarbazimidamide hydrogen maleate
Systematic Name English
TEGASEROD MALEATE [ORANGE BOOK]
Common Name English
NSC-760425
Code English
TEGASEROD MALEATE [VANDF]
Common Name English
HYDRAZINECARBOXIMIDAMIDE, 2-((5-METHOXY-1H-INDOL-3-YL)METHYLENE)-N-PENTYL-, (2E)-, (2Z)-2-BUTENEDIOATE (1:1)
Systematic Name English
HYDRAZINECARBOXIMIDAMIDE,2-((5-METHOXY-1H-INDOL-3-YL)METHYLENE)-N-PENTYL (2Z)-2-BUTENEDIOATE(1:1)
Common Name English
HTF-919
Code English
TEGASEROD MALEATE [USAN]
Common Name English
TEGASEROD MALEATE [MART.]
Common Name English
ZELNORM
Brand Name English
Classification Tree Code System Code
NCI_THESAURUS C66885
Created by admin on Fri Dec 15 16:31:19 UTC 2023 , Edited by admin on Fri Dec 15 16:31:19 UTC 2023
Code System Code Type Description
FDA UNII
E5XNT3RF5A
Created by admin on Fri Dec 15 16:31:19 UTC 2023 , Edited by admin on Fri Dec 15 16:31:19 UTC 2023
PRIMARY
RXCUI
339270
Created by admin on Fri Dec 15 16:31:19 UTC 2023 , Edited by admin on Fri Dec 15 16:31:19 UTC 2023
PRIMARY RxNorm
NSC
760425
Created by admin on Fri Dec 15 16:31:19 UTC 2023 , Edited by admin on Fri Dec 15 16:31:19 UTC 2023
PRIMARY
EVMPD
SUB16463MIG
Created by admin on Fri Dec 15 16:31:19 UTC 2023 , Edited by admin on Fri Dec 15 16:31:19 UTC 2023
PRIMARY
DAILYMED
E5XNT3RF5A
Created by admin on Fri Dec 15 16:31:19 UTC 2023 , Edited by admin on Fri Dec 15 16:31:19 UTC 2023
PRIMARY
CAS
189188-57-6
Created by admin on Fri Dec 15 16:31:19 UTC 2023 , Edited by admin on Fri Dec 15 16:31:19 UTC 2023
PRIMARY
CHEBI
51044
Created by admin on Fri Dec 15 16:31:19 UTC 2023 , Edited by admin on Fri Dec 15 16:31:19 UTC 2023
PRIMARY
PUBCHEM
135413539
Created by admin on Fri Dec 15 16:31:19 UTC 2023 , Edited by admin on Fri Dec 15 16:31:19 UTC 2023
PRIMARY
CAS
1052274-43-7
Created by admin on Fri Dec 15 16:31:19 UTC 2023 , Edited by admin on Fri Dec 15 16:31:19 UTC 2023
ALTERNATIVE
ChEMBL
CHEMBL76370
Created by admin on Fri Dec 15 16:31:19 UTC 2023 , Edited by admin on Fri Dec 15 16:31:19 UTC 2023
PRIMARY
MERCK INDEX
m10523
Created by admin on Fri Dec 15 16:31:19 UTC 2023 , Edited by admin on Fri Dec 15 16:31:19 UTC 2023
PRIMARY Merck Index
USAN
NN-78
Created by admin on Fri Dec 15 16:31:19 UTC 2023 , Edited by admin on Fri Dec 15 16:31:19 UTC 2023
PRIMARY
NCI_THESAURUS
C76961
Created by admin on Fri Dec 15 16:31:19 UTC 2023 , Edited by admin on Fri Dec 15 16:31:19 UTC 2023
PRIMARY
EPA CompTox
DTXSID50904761
Created by admin on Fri Dec 15 16:31:19 UTC 2023 , Edited by admin on Fri Dec 15 16:31:19 UTC 2023
PRIMARY
SMS_ID
100000078569
Created by admin on Fri Dec 15 16:31:19 UTC 2023 , Edited by admin on Fri Dec 15 16:31:19 UTC 2023
PRIMARY
DRUG BANK
DBSALT001797
Created by admin on Fri Dec 15 16:31:19 UTC 2023 , Edited by admin on Fri Dec 15 16:31:19 UTC 2023
PRIMARY
Related Record Type Details
Structure of TEGASEROD
PARENT -> SALT/SOLVATE
Structure of MALEIC ACID
PARENT -> SALT/SOLVATE
Related Record Type Details
Structure of TEGASEROD
ACTIVE MOIETY
NIH
NCATS
PRIVACY ACT
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966