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Details

Stereochemistry ABSOLUTE
Molecular Formula C14H14N2O4
Molecular Weight 274.272
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-DES(DIMETHYLAMINOETHYL)-3-ACETIC ACID ZOLMITRIPTAN

SMILES

OC(=O)CC1=CNC2=C1C=C(C[C@H]3COC(=O)N3)C=C2

InChI

InChIKey=HJCHJQORBPQIIJ-JTQLQIEISA-N
InChI=1S/C14H14N2O4/c17-13(18)5-9-6-15-12-2-1-8(4-11(9)12)3-10-7-20-14(19)16-10/h1-2,4,6,10,15H,3,5,7H2,(H,16,19)(H,17,18)/t10-/m0/s1

HIDE SMILES / InChI

Molecular Formula C14H14N2O4
Molecular Weight 274.272
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 Sat Dec 16 08:44:40 GMT 2023
Edited
by admin
on Sat Dec 16 08:44:40 GMT 2023
Record UNII
XIJ30HC936
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-DES(DIMETHYLAMINOETHYL)-3-ACETIC ACID ZOLMITRIPTAN
Common Name English
2161W92
Code English
1H-INDOLE-3-ACETIC ACID, 5-(((4S)-2-OXO-4-OXAZOLIDINYL)METHYL)-
Systematic Name English
Code System Code Type Description
PUBCHEM
71315605
Created by admin on Sat Dec 16 08:44:40 GMT 2023 , Edited by admin on Sat Dec 16 08:44:40 GMT 2023
PRIMARY
FDA UNII
XIJ30HC936
Created by admin on Sat Dec 16 08:44:40 GMT 2023 , Edited by admin on Sat Dec 16 08:44:40 GMT 2023
PRIMARY
EPA CompTox
DTXSID90747518
Created by admin on Sat Dec 16 08:44:40 GMT 2023 , Edited by admin on Sat Dec 16 08:44:40 GMT 2023
PRIMARY
CAS
251451-31-7
Created by admin on Sat Dec 16 08:44:40 GMT 2023 , Edited by admin on Sat Dec 16 08:44:40 GMT 2023
PRIMARY
Related Record Type Details
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