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Details

Stereochemistry ACHIRAL
Molecular Formula C17H22N4O
Molecular Weight 298.3828
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-DESMETHYL GRANISETRON

SMILES

CN1[C@H]2CCC[C@@H]1C[C@@H](C2)NC(=O)C3=NNC4=CC=CC=C34

InChI

InChIKey=GHVQAOGYNZNTIA-CLLJXQQHSA-N
InChI=1S/C17H22N4O/c1-21-12-5-4-6-13(21)10-11(9-12)18-17(22)16-14-7-2-3-8-15(14)19-20-16/h2-3,7-8,11-13H,4-6,9-10H2,1H3,(H,18,22)(H,19,20)/t11-,12+,13-

HIDE SMILES / InChI

Molecular Formula C17H22N4O
Molecular Weight 298.3828
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:19:05 GMT 2023
Edited
by admin
on Sat Dec 16 11:19:05 GMT 2023
Record UNII
KC8X636ZZE
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-DESMETHYL GRANISETRON
Common Name English
1H-INDAZOLE-3-CARBOXAMIDE, N-((3-ENDO)-9-METHYL-9-AZABICYCLO(3.3.1)NON-3-YL)-
Systematic Name English
N-((1R,3R,5S)-9-METHYL-9-AZABICYCLO(3.3.1)NONAN-3-YL)-2H-INDAZOLE-3-CARBOXAMIDE
Systematic Name English
N-((3-ENDO)-9-METHYL-9-AZABICYCLO(3.3.1)NON-3-YL)-1H-INDAZOLE-3-CARBOXAMIDE
Systematic Name English
GRANISETRON RELATED COMPOUND B [USP-RS]
Common Name English
1-DESMETHYL GRANISETRON [USP IMPURITY]
Common Name English
N-((1R,3R,5S)-9-METHYL-9-AZABICYCLO(3.3.1)NON-3-YL)-1H-INDAZOLE-3-CARBOXAMIDE
Systematic Name English
GRANISETRON HYDROCHLORIDE IMPURITY B [EP IMPURITY]
Common Name English
Code System Code Type Description
CAS
107007-95-4
Created by admin on Sat Dec 16 11:19:06 GMT 2023 , Edited by admin on Sat Dec 16 11:19:06 GMT 2023
PRIMARY
RS_ITEM_NUM
1298128
Created by admin on Sat Dec 16 11:19:06 GMT 2023 , Edited by admin on Sat Dec 16 11:19:06 GMT 2023
PRIMARY
CAS
868989-52-0
Created by admin on Sat Dec 16 11:19:06 GMT 2023 , Edited by admin on Sat Dec 16 11:19:06 GMT 2023
NON-SPECIFIC STEREOCHEMISTRY
FDA UNII
KC8X636ZZE
Created by admin on Sat Dec 16 11:19:06 GMT 2023 , Edited by admin on Sat Dec 16 11:19:06 GMT 2023
PRIMARY
PUBCHEM
14788243
Created by admin on Sat Dec 16 11:19:06 GMT 2023 , Edited by admin on Sat Dec 16 11:19:06 GMT 2023
PRIMARY
EPA CompTox
DTXSID60564037
Created by admin on Sat Dec 16 11:19:06 GMT 2023 , Edited by admin on Sat Dec 16 11:19:06 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
PARENT -> IMPURITY