7-HYDROXYGRANISETRON

Details

Stereochemistry	ACHIRAL
Molecular Formula	C18H24N4O2
Molecular Weight	328.4088
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CN1N=C(C(=O)N[C@@H]2C[C@@H]3CCC[C@H](C2)N3C)C4=CC=CC(O)=C14

InChI

InChIKey=AJEBHUMZPBDLQF-CLLJXQQHSA-N

InChI=1S/C18H24N4O2/c1-21-12-5-3-6-13(21)10-11(9-12)19-18(24)16-14-7-4-8-15(23)17(14)22(2)20-16/h4,7-8,11-13,23H,3,5-6,9-10H2,1-2H3,(H,19,24)/t11-,12+,13-

HIDE SMILES / InChI

Molecular Formula	C18H24N4O2
Molecular Weight	328.4088
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 15:46:03 GMT 2023` Edited by `admin` on `Sat Dec 16 15:46:03 GMT 2023`
Record UNII	GG8LX5R3UF
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

7-HYDROXYGRANISETRON

Common Name

English

1H-INDAZOLE-3-CARBOXAMIDE, 7-HYDROXY-1-METHYL-N-((3-ENDO)-9-METHYL-9-AZABICYCLO(3.3.1)NON-3-YL)-

Systematic Name

English

1H-INDAZOLE-3-CARBOXAMIDE, 7-HYDROXY-1-METHYL-N-(9-METHYL-9-AZABICYCLO(3.3.1)NON-3-YL)-, ENDO-

Systematic Name

English

7-HYDROXY-1-METHYL-N-((3-ENDO)-9-METHYL-9-AZABICYCLO(3.3.1)NON-3-YL)-1H-INDAZOLE-3-CARBOXAMIDE

Systematic Name

English

Code System Code Type Description

FDA UNII

GG8LX5R3UF

Created by admin on Sat Dec 16 15:46:03 GMT 2023 , Edited by admin on Sat Dec 16 15:46:03 GMT 2023

PRIMARY

CAS

133841-15-3

Created by admin on Sat Dec 16 15:46:03 GMT 2023 , Edited by admin on Sat Dec 16 15:46:03 GMT 2023

PRIMARY

CAS

2407763-22-6

Created by admin on Sat Dec 16 15:46:03 GMT 2023 , Edited by admin on Sat Dec 16 15:46:03 GMT 2023

ALTERNATIVE

Related Record Type Details


					WZG3J2MCOL

GRANISETRON

PARENT -> METABOLITE ACTIVE

Comments:

After both oral and intravenous administration, the metabolite is present at about 10% of that of the parent (Clarke et al., 1994; Boppana, 1995). Assuming similar free fractions, it can be estimated that the metabolite would contribute about 20% of the activity of the parent.

Amount: