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

Details

Stereochemistry ACHIRAL
Molecular Formula C18H24N4O
Molecular Weight 312.4094
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-METHYL-N-(9-METHYL-9-AZABICYCLO(3.3.1)NON-3-YL)-,2H-INDAZOLE-3-CARBOXAMIDE, ENDO-

SMILES

CN1N=C2C=CC=CC2=C1C(=O)N[C@@H]3C[C@@H]4CCC[C@H](C3)N4C

InChI

InChIKey=INMQDEMSQWWCSB-BTTYYORXSA-N
InChI=1S/C18H24N4O/c1-21-13-6-5-7-14(21)11-12(10-13)19-18(23)17-15-8-3-4-9-16(15)20-22(17)2/h3-4,8-9,12-14H,5-7,10-11H2,1-2H3,(H,19,23)/t12-,13+,14-

HIDE SMILES / InChI

Molecular Formula C18H24N4O
Molecular Weight 312.4094
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 15:30:37 GMT 2023
Edited
by admin
on Sat Dec 16 15:30:37 GMT 2023
Record UNII
OW447MGE8N
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-METHYL-N-(9-METHYL-9-AZABICYCLO(3.3.1)NON-3-YL)-,2H-INDAZOLE-3-CARBOXAMIDE, ENDO-
Systematic Name English
GRANISETRON HYDROCHLORIDE IMPURITY A [EP IMPURITY]
Common Name English
2H-INDAZOLE-3-CARBOXAMIDE, 2-METHYL-N-(9-METHYL-9-AZABICYCLO(3.3.1)NON-3-YL)-, ENDO
Systematic Name English
GRANISETRON RELATED COMPOUND A [USP-RS]
Common Name English
GRANISETRON 2-METHYL ISOMER [USP IMPURITY]
Common Name English
2H-INDAZOLE-3-CARBOXAMIDE, 2-METHYL-N-((3-ENDO)-9-METHYL-9-AZABICYCLO(3.3.1)NON-3-YL)-
Systematic Name English
GRANISETRON RELATED COMPOUND A [USP IMPURITY]
Common Name English
2-METHYL-N-((1R,3R,5S)-9-METHYL-9-AZABICYCLO(3.3.1)NONAN-3-YL)-2H-INDAZOLE-3-CARBOXAMIDE
Systematic Name English
Code System Code Type Description
FDA UNII
OW447MGE8N
Created by admin on Sat Dec 16 15:30:37 GMT 2023 , Edited by admin on Sat Dec 16 15:30:37 GMT 2023
PRIMARY
PUBCHEM
14788253
Created by admin on Sat Dec 16 15:30:37 GMT 2023 , Edited by admin on Sat Dec 16 15:30:37 GMT 2023
PRIMARY
CAS
1219180-05-8
Created by admin on Sat Dec 16 15:30:37 GMT 2023 , Edited by admin on Sat Dec 16 15:30:37 GMT 2023
NON-SPECIFIC STEREOCHEMISTRY
RS_ITEM_NUM
1298117
Created by admin on Sat Dec 16 15:30:37 GMT 2023 , Edited by admin on Sat Dec 16 15:30:37 GMT 2023
PRIMARY
EPA CompTox
DTXSID20564038
Created by admin on Sat Dec 16 15:30:37 GMT 2023 , Edited by admin on Sat Dec 16 15:30:37 GMT 2023
PRIMARY
CAS
127472-42-8
Created by admin on Sat Dec 16 15:30:37 GMT 2023 , Edited by admin on Sat Dec 16 15:30:37 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
PARENT -> IMPURITY