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

Details

Stereochemistry RACEMIC
Molecular Formula C17H25N3O3S
Molecular Weight 351.464
Optical Activity ( + / - )
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SPIROALMOTRIPTAN

SMILES

CN1CCC2(C1)C(O)NC3=CC=C(CS(=O)(=O)N4CCCC4)C=C23

InChI

InChIKey=LXSWXVHNXSOIPG-UHFFFAOYSA-N
InChI=1S/C17H25N3O3S/c1-19-9-6-17(12-19)14-10-13(4-5-15(14)18-16(17)21)11-24(22,23)20-7-2-3-8-20/h4-5,10,16,18,21H,2-3,6-9,11-12H2,1H3

HIDE SMILES / InChI

Molecular Formula C17H25N3O3S
Molecular Weight 351.464
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:09:20 GMT 2023
Edited
by admin
on Sat Dec 16 11:09:20 GMT 2023
Record UNII
TN9BT6MB73
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SPIROALMOTRIPTAN
Common Name English
1'-METHYL-5-((PYRROLIDIN-1-YLSULFONYL)METHYL)SPIRO(INDOLINE-3,3'-PYRROLIDIN)-2-OL
Systematic Name English
1,2-DIHYDRO-1'-METHYL-5-((1-PYRROLIDINYLSULFONYL)METHYL)SPIRO(3H-INDOLE-3,3'-PYRROLIDIN)-2-OL
Systematic Name English
SPIRO(3H-INDOLE-3,3'-PYRROLIDIN)-2-OL, 1,2-DIHYDRO-1'-METHYL-5-((1-PYRROLIDINYLSULFONYL)METHYL)-
Systematic Name English
SPIROALMOTRIPTAN [USP IMPURITY]
Common Name English
Code System Code Type Description
CAS
1309457-18-8
Created by admin on Sat Dec 16 11:09:20 GMT 2023 , Edited by admin on Sat Dec 16 11:09:20 GMT 2023
PRIMARY
PUBCHEM
52950815
Created by admin on Sat Dec 16 11:09:20 GMT 2023 , Edited by admin on Sat Dec 16 11:09:20 GMT 2023
PRIMARY
FDA UNII
TN9BT6MB73
Created by admin on Sat Dec 16 11:09:20 GMT 2023 , Edited by admin on Sat Dec 16 11:09:20 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP