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Details

Stereochemistry ABSOLUTE
Molecular Formula C14H17BrN2
Molecular Weight 293.202
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ELETRIPTAN RELATED COMPOUND B [USP-RS]

SMILES

CN1CCC[C@@H]1CC2=CNC3=CC=C(Br)C=C23

InChI

InChIKey=JCXOJXALBTZEFE-GFCCVEGCSA-N
InChI=1S/C14H17BrN2/c1-17-6-2-3-12(17)7-10-9-16-14-5-4-11(15)8-13(10)14/h4-5,8-9,12,16H,2-3,6-7H2,1H3/t12-/m1/s1

HIDE SMILES / InChI

Molecular Formula C14H17BrN2
Molecular Weight 293.202
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 11:18:34 UTC 2023
Edited
by admin
on Sat Dec 16 11:18:34 UTC 2023
Record UNII
XR1NS522CP
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ELETRIPTAN RELATED COMPOUND B [USP-RS]
Common Name English
ELETRIPTAN RELATED COMPOUND B [USP IMPURITY]
Common Name English
ELETRIPTAN BROMO ANALOG [USP IMPURITY]
Common Name English
(R)-5-BROMO-3-[(1-METHYL-2-PYRROLIDINYL)METHYL]-1H-INDOLE
Systematic Name English
(R)-5-BROMO-3-((1-METHYLPYRROLIDIN-2-YL)METHYL)-1H-INDOLE
Systematic Name English
1H-INDOLE, 5-BROMO-3-(((2R)-1-METHYL-2-PYRROLIDINYL)METHYL)-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID80458106
Created by admin on Sat Dec 16 11:18:34 UTC 2023 , Edited by admin on Sat Dec 16 11:18:34 UTC 2023
PRIMARY
CAS
143322-57-0
Created by admin on Sat Dec 16 11:18:34 UTC 2023 , Edited by admin on Sat Dec 16 11:18:34 UTC 2023
PRIMARY
PUBCHEM
11185464
Created by admin on Sat Dec 16 11:18:34 UTC 2023 , Edited by admin on Sat Dec 16 11:18:34 UTC 2023
PRIMARY
RS_ITEM_NUM
1234475
Created by admin on Sat Dec 16 11:18:34 UTC 2023 , Edited by admin on Sat Dec 16 11:18:34 UTC 2023
PRIMARY
FDA UNII
XR1NS522CP
Created by admin on Sat Dec 16 11:18:34 UTC 2023 , Edited by admin on Sat Dec 16 11:18:34 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY