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Details

Stereochemistry ABSOLUTE
Molecular Formula C15H23N3O
Molecular Weight 261.3626
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DECARBONYL ZOLMITRIPTAN

SMILES

CN(C)CCC1=CNC2=C1C=C(C[C@H](N)CO)C=C2

InChI

InChIKey=XYSYRJCYRKMOFP-ZDUSSCGKSA-N
InChI=1S/C15H23N3O/c1-18(2)6-5-12-9-17-15-4-3-11(8-14(12)15)7-13(16)10-19/h3-4,8-9,13,17,19H,5-7,10,16H2,1-2H3/t13-/m0/s1

HIDE SMILES / InChI

Molecular Formula C15H23N3O
Molecular Weight 261.3626
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 10:47:59 UTC 2023
Edited
by admin
on Sat Dec 16 10:47:59 UTC 2023
Record UNII
H8D1T877WE
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DECARBONYL ZOLMITRIPTAN
Common Name English
((S)-2-AMINO-3-(3-(2-(DIMETHYLAMINO)ETHYL)-1H-INDOL-5-YL)PROPAN-1-OL
Systematic Name English
1H-INDOLE-5-PROPANOL, .BETA.-AMINO-3-(2-(DIMETHYLAMINO)ETHYL)-, (.BETA.S)-
Systematic Name English
ZOLMITRIPTAN IMPURITY F [EP IMPURITY]
Common Name English
ZOLMITRIPTAN RELATED COMPOUND B [USP IMPURITY]
USP-RS  
Common Name English
ZOLMITRIPTAN RELATED COMPOUND B [USP-RS]
Common Name English
Code System Code Type Description
PUBCHEM
72941680
Created by admin on Sat Dec 16 10:47:59 UTC 2023 , Edited by admin on Sat Dec 16 10:47:59 UTC 2023
PRIMARY
FDA UNII
H8D1T877WE
Created by admin on Sat Dec 16 10:47:59 UTC 2023 , Edited by admin on Sat Dec 16 10:47:59 UTC 2023
PRIMARY
CAS
139264-69-0
Created by admin on Sat Dec 16 10:47:59 UTC 2023 , Edited by admin on Sat Dec 16 10:47:59 UTC 2023
PRIMARY
RS_ITEM_NUM
1727031
Created by admin on Sat Dec 16 10:47:59 UTC 2023 , Edited by admin on Sat Dec 16 10:47:59 UTC 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP