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Details

Stereochemistry RACEMIC
Molecular Formula C17H25N3O3S
Molecular Weight 351.464
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-[2-(Dimethylamino)ethyl]-1,3-dihydro-5-[(1-pyrrolidinylsulfonyl)methyl]-2H-indol-2-one

SMILES

CN(C)CCC1C(=O)NC2=CC=C(CS(=O)(=O)N3CCCC3)C=C12

InChI

InChIKey=NPTYVZGQLRCTNS-UHFFFAOYSA-N
InChI=1S/C17H25N3O3S/c1-19(2)10-7-14-15-11-13(5-6-16(15)18-17(14)21)12-24(22,23)20-8-3-4-9-20/h5-6,11,14H,3-4,7-10,12H2,1-2H3,(H,18,21)

HIDE SMILES / InChI

Molecular Formula C17H25N3O3S
Molecular Weight 351.464
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:03:00 UTC 2023
Edited
by admin
on Sat Dec 16 11:03:00 UTC 2023
Record UNII
VAK3HT684K
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-[2-(Dimethylamino)ethyl]-1,3-dihydro-5-[(1-pyrrolidinylsulfonyl)methyl]-2H-indol-2-one
Systematic Name English
2-HYDROXYALMOTRIPTAN
Common Name English
1H-Indol-2-ol, 3-[2-(dimethylamino)ethyl]-5-[(1-pyrrolidinylsulfonyl)methyl]-
Systematic Name English
3-[2-(Dimethylamino)ethyl]-5-[(1-pyrrolidinylsulfonyl)methyl]-1H-indol-2-ol
Systematic Name English
2H-Indol-2-one, 3-[2-(dimethylamino)ethyl]-1,3-dihydro-5-[(1-pyrrolidinylsulfonyl)methyl]-
Systematic Name English
2-HYDROXYALMOTRIPTAN [USP IMPURITY]
Common Name English
Code System Code Type Description
CAS
334981-13-4
Created by admin on Sat Dec 16 11:03:00 UTC 2023 , Edited by admin on Sat Dec 16 11:03:00 UTC 2023
PRIMARY
PUBCHEM
102242436
Created by admin on Sat Dec 16 11:03:00 UTC 2023 , Edited by admin on Sat Dec 16 11:03:00 UTC 2023
PRIMARY
CAS
1309457-19-9
Created by admin on Sat Dec 16 11:03:00 UTC 2023 , Edited by admin on Sat Dec 16 11:03:00 UTC 2023
ALTERNATIVE
FDA UNII
VAK3HT684K
Created by admin on Sat Dec 16 11:03:00 UTC 2023 , Edited by admin on Sat Dec 16 11:03:00 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP