1-DESMETHYL GRANISETRON

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 Search

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

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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