7-Hydroxygranisetron

HCID 25271976CAS 133841-15-3
Substructure searchFind similar structures

Basic information

Standard SMILES
CN1[C@@H]2CCC[C@H]1CC(NC(=O)c1nn(C)c3c(O)cccc13)C2
InChIKey
AJEBHUMZPBDLQF-CLLJXQQHSA-N
Molecular formula
C18H24N4O2
Average molar mass
328.4 g/mol

Overview

7-hydroxygranisetron is a member of indazoles and an aromatic amide.

Names & identifiers

Preferred name
7-Hydroxygranisetron
IUPAC
7-hydroxy-1-methyl-N-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide
English name
7-Hydroxygranisetron
Molecular formula
C18H24N4O2
Molecular weight
328.41

Names & synonyms

7-Hydroxygranisetron133841-15-3GG8LX5R3UFUNII-GG8LX5R3UF7-Hydroxy granisetron7-hydroxy-1-methyl-N-[(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide1H-Indazole-3-carboxamide, 7-hydroxy-1-methyl-N-((3-endo)-9-methyl-9-azabicyclo(3.3.1)non-3-yl)-1H-Indazole-3-carboxamide, 7-hydroxy-1-methyl-N-(9-methyl-9-azabicyclo(3.3.1)non-3-yl)-, endo-7-Hydroxy-1-methyl-N-((3-endo)-9-methyl-9-azabicyclo(3.3.1)non-3-yl)-1H-indazole-3-carboxamide7-hydroxy-granisetronGranisetron Impurity 28CHEBI:175189
Show more names
Granisetron Impurity MGranisetron Impurity 247-Hydroxy Granisetron-d37-Hydroxy Granisetron HCl7-Hydroxy Granisetron Labeled d37-Hydroxy-1-methyl-N-[(3-endo)-9-methyl-9-azabicyclo[3.3.1]non-3-yl]-1H-indazole-3-carboxamide1H-Indazole-3-carboxamide, 7-hydroxy-1-methyl-N-[(3-endo)-9-methyl-9-azabicyclo[3.3.1]non-3-yl]-7-Hydroxy-1-methyl-N-((1R,3r,5S)-9-methyl-9-azabicyclo[3.3.1]Nonan-3-yl)-1H-indazole-3-carboxamide hydrochloride
7-hydroxy-1-methyl-N-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide7-hydroxy-1-methyl-N-((1R,3r,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1H-indazole-3-carboxamide7-hydroxy-1-methyl-N-(endo-9-methyl-9-azabicyclo(3.3.1)non-3-yl)-1H-indazole-3-carboxamide

Database identifiers

CAS
133841-15-3
PubChem CID
25271976
ChEBI
CHEBI:175189
UNII
GG8LX5R3UF
Nikkaji
J621.853I

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
70.4 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
24

Physicochemical properties

Melting point
225 · 225-230 °C (decomp)
Boiling point
583.7 · 583.7±50.0 °C(Predicted)
Density
1.41 · 1.41
pka
8.9 · 8.90±0.40(Predicted)
FDA UNII
8 LX5R3UF · GG8LX5R3UF

Chemistry & industry

Suppliers18 total

上海泰矶林实业有限公司02150630626 17717886015 · [email protected]
南京望知星医药科技有限公司18569809817 · [email protected]
Advanced chemblocks inc650-6922368 650-6922368;650-6922368 · [email protected]
大赛璐药物手性技术（上海）有限公司021-50460086-9 15921403865 · [email protected]
Moxin Chemicals+86-17320513646 +86-17320513646 · [email protected]

Additional notes

DefinitionChEBI: 7-hydroxygranisetron is a member of indazoles and an aromatic amide.

Related reactions

0 records
New reaction record

No reaction records under the current filter.

Linked notes

Loading…