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

Details

Stereochemistry ACHIRAL
Molecular Formula C38H53N7O4
Molecular Weight 671.8719
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,2'-(4-(DIMETHYLAMINO)BUTANE-1,1-DIYL)BIS(5-((S)-(2-OXOOXAZOLIDIN-4-YL)METHYL)-3-(2-DIMETHYLAMINOETHYL)INDOLE)

SMILES

CN(C)CCCC(C1=C(CCN(C)C)C2=CC(C[C@H]3COC(=O)N3)=CC=C2N1)C4=C(CCN(C)C)C5=CC(C[C@H]6COC(=O)N6)=CC=C5N4

InChI

InChIKey=HPARTXIGVCXSNR-SVBPBHIXSA-N
InChI=1S/C38H53N7O4/c1-43(2)15-7-8-30(35-28(13-16-44(3)4)31-20-24(9-11-33(31)41-35)18-26-22-48-37(46)39-26)36-29(14-17-45(5)6)32-21-25(10-12-34(32)42-36)19-27-23-49-38(47)40-27/h9-12,20-21,26-27,30,41-42H,7-8,13-19,22-23H2,1-6H3,(H,39,46)(H,40,47)/t26-,27-/m0/s1

HIDE SMILES / InChI

Molecular Formula C38H53N7O4
Molecular Weight 671.8719
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:35:59 GMT 2023
Edited
by admin
on Sat Dec 16 10:35:59 GMT 2023
Record UNII
KUX4SO002X
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,2'-(4-(DIMETHYLAMINO)BUTANE-1,1-DIYL)BIS(5-((S)-(2-OXOOXAZOLIDIN-4-YL)METHYL)-3-(2-DIMETHYLAMINOETHYL)INDOLE)
Systematic Name English
ZOLMITRIPTAN RELATED COMPOUND F [USP-RS]
Common Name English
ZOLMITRIPTAN DIMER [USP IMPURITY]
Common Name English
ZOLMITRIPTAN RELATED COMPOUND F [USP IMPURITY]
Common Name English
Code System Code Type Description
FDA UNII
KUX4SO002X
Created by admin on Sat Dec 16 10:35:59 GMT 2023 , Edited by admin on Sat Dec 16 10:35:59 GMT 2023
PRIMARY
RS_ITEM_NUM
1727075
Created by admin on Sat Dec 16 10:35:59 GMT 2023 , Edited by admin on Sat Dec 16 10:35:59 GMT 2023
PRIMARY
PUBCHEM
131872639
Created by admin on Sat Dec 16 10:35:59 GMT 2023 , Edited by admin on Sat Dec 16 10:35:59 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY