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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H24N4O
Molecular Weight 318.4337
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of GRANISETRON H-3

SMILES

[3H]C([3H])([3H])N1[C@H]2CCC[C@@H]1C[C@@H](C2)NC(=O)C3=NN(C)C4=CC=CC=C34

InChI

InChIKey=MFWNKCLOYSRHCJ-MSJJKNTASA-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)22(2)20-17/h3-4,8-9,12-14H,5-7,10-11H2,1-2H3,(H,19,23)/t12-,13+,14-/i1T3

HIDE SMILES / InChI

Molecular Formula C18H24N4O
Molecular Weight 318.4337
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 19:58:59 GMT 2023
Edited
by admin
on Sat Dec 16 19:58:59 GMT 2023
Record UNII
3X5G9S4YNB
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
GRANISETRON H-3
Common Name English
[3H]BRL 43694
Common Name English
BRL-43694 H-3
Code English
BRL-43694, [9-METHYL-3H]-
Code English
1-Methyl-N-[(3-endo)-9-(methyl-t3)-9-azabicyclo[3.3.1]non-3-yl]-1H-indazole-3-carboxamide
Systematic Name English
Code System Code Type Description
FDA UNII
3X5G9S4YNB
Created by admin on Sat Dec 16 19:58:59 GMT 2023 , Edited by admin on Sat Dec 16 19:58:59 GMT 2023
PRIMARY
Related Record Type Details
TARGET->RADIOLIGAND
Kd
NON-LABELED -> LABELED
Name Property Type Amount Referenced Substance Defining Parameters References
Volume of Distribution PHARMACOKINETIC
Biological Half-life PHARMACOKINETIC
Tmax PHARMACOKINETIC following patch application