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GRANISETRON IMPURITY A

GRANISETRON IMPURITY A structure

CAS No:
127472-42-8
Formula:
C18H24N4O
Chemical Name:
GRANISETRON IMPURITY A
Synonyms:
GRANISETRON IMPURITY A;1-Desmethyl 2-Methyl Granisetron (Granisetron Impurity A);endo-N-(9-Methyl-9-Azabicyclo[3.3.1]non-3-yl)-2-methyl-2H-indazole-3-carboxamide;2-Methyl-N-[(1R,3r,5S)-9-Methyl-9-azabicyclo[3.3.1]non-3-yl]-2H-indazole-3-carboxaMide;Granisetron Related CoMpound A;Granisetron Related Compound A (15 mg) (2-methyl-N-[(1R,3r,5S)-9-methyl-9-azabicyclo[3.3.1]non-3-yl]-2H-indazole-3-carboxamide);2-Methyl-N-[(3-endo)-9-methyl-9-azabicyclo[3.3.1]non-3-yl]-2H-indazole-3-carboxamide
Categories:
Analytical Chemistry > Standard

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Description

Pinkish-White Crystalline Sold

GRANISETRON IMPURITY A Basic Attributes

Molecular Weight：

312.415

Exact Mass：

312.19500

DSSTox ID：

DTXSID20564038

HScode：

2933399090

Characteristics

PSA：

50.2

XLogP3：

2.64720

Density：

1.33±0.1 g/cm3(Predicted)

Melting Point：

245-248°C

Boiling Point：

552.3±40.0 °C(Predicted)

Storage Conditions：

-20°C Freezer

Safety Information

Transport codes：

NONH for all modes of transport

GRANISETRON IMPURITY A Use and Manufacturing

An impurity in the synthesis of Granisetron Hydrochloride. Granisetron Impurity A.

Computed Properties

Molecular Weight:312.4
XLogP3:2.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:312.19501140
Monoisotopic Mass:312.19501140
Topological Polar Surface Area:50.2
Heavy Atom Count:23
Complexity:442
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes