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

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 9-DESMETHYL GRANISETRON

SMILES

CN1N=C(C(=O)N[C@@H]2C[C@@H]3CCC[C@H](C2)N3)C4=CC=CC=C14

InChI

InChIKey=VIGVTDRZHFWDBM-ITGUQSILSA-N
InChI=1S/C17H22N4O/c1-21-15-8-3-2-7-14(15)16(20-21)17(22)19-13-9-11-5-4-6-12(10-13)18-11/h2-3,7-8,11-13,18H,4-6,9-10H2,1H3,(H,19,22)/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 16:04:56 GMT 2023
Edited
by admin
on Sat Dec 16 16:04:56 GMT 2023
Record UNII
9JZ8WLY99W
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
9-DESMETHYL GRANISETRON
Common Name English
GRANISETRON RELATED COMPOUND C [USP-RS]
Common Name English
GRANISETRON HYDROCHLORIDE IMPURITY C [EP IMPURITY]
Common Name English
GRANISETRON RELATED COMPOUND C [USP IMPURITY]
Common Name English
N-((1R,3R,5S)-9-AZABICYCLO(3.3.1)NON-3-YL)-1-METHYL-1H-INDAZOLE-3-CARBOXAMIDE
Systematic Name English
9-DESMETHYL GRANISETRON [USP IMPURITY]
Common Name English
Code System Code Type Description
RS_ITEM_NUM
1298139
Created by admin on Sat Dec 16 16:04:56 GMT 2023 , Edited by admin on Sat Dec 16 16:04:56 GMT 2023
PRIMARY
CAS
2407912-26-7
Created by admin on Sat Dec 16 16:04:56 GMT 2023 , Edited by admin on Sat Dec 16 16:04:56 GMT 2023
ALTERNATIVE
CAS
1216398-33-2
Created by admin on Sat Dec 16 16:04:56 GMT 2023 , Edited by admin on Sat Dec 16 16:04:56 GMT 2023
PRIMARY
FDA UNII
9JZ8WLY99W
Created by admin on Sat Dec 16 16:04:56 GMT 2023 , Edited by admin on Sat Dec 16 16:04:56 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP