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

Details

Stereochemistry ABSOLUTE
Molecular Formula C17H21N3O4
Molecular Weight 331.3663
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (S)-3-(2-DIMETHYLAMINOETHYL)-5-(2-OXO-1,3-OXAZOLIDIN-4-YLMETHYL)-1H-INDOL-2-CARBOXYLIC ACID

SMILES

CN(C)CCC1=C(NC2=C1C=C(C[C@H]3COC(=O)N3)C=C2)C(O)=O

InChI

InChIKey=PRLUPEADUDNTPI-NSHDSACASA-N
InChI=1S/C17H21N3O4/c1-20(2)6-5-12-13-8-10(7-11-9-24-17(23)18-11)3-4-14(13)19-15(12)16(21)22/h3-4,8,11,19H,5-7,9H2,1-2H3,(H,18,23)(H,21,22)/t11-/m0/s1

HIDE SMILES / InChI

Molecular Formula C17H21N3O4
Molecular Weight 331.3663
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 14:42:20 GMT 2023
Edited
by admin
on Sat Dec 16 14:42:20 GMT 2023
Record UNII
DZ2G9845EY
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(S)-3-(2-DIMETHYLAMINOETHYL)-5-(2-OXO-1,3-OXAZOLIDIN-4-YLMETHYL)-1H-INDOL-2-CARBOXYLIC ACID
Systematic Name English
1H-INDOLE-2-CARBOXYLIC ACID, 3-(2-(DIMETHYLAMINO)ETHYL)-5-(((4S)-2-OXO-4-OXAZOLIDINYL)METHYL)-
Systematic Name English
3-(2-(DIMETHYLAMINO)ETHYL)-5-(((4S)-2-OXO-4-OXAZOLIDINYL)METHYL)-1H-INDOLE-2-CARBOXYLIC ACID
Systematic Name English
ZOLMITRIPTAN IMPURITY I [EP IMPURITY]
Common Name English
Code System Code Type Description
CAS
659738-69-9
Created by admin on Sat Dec 16 14:42:20 GMT 2023 , Edited by admin on Sat Dec 16 14:42:20 GMT 2023
PRIMARY
FDA UNII
DZ2G9845EY
Created by admin on Sat Dec 16 14:42:20 GMT 2023 , Edited by admin on Sat Dec 16 14:42:20 GMT 2023
PRIMARY
PUBCHEM
10449364
Created by admin on Sat Dec 16 14:42:20 GMT 2023 , Edited by admin on Sat Dec 16 14:42:20 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP