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CAS 107007-99-8 Granisetron Hydrochloride molecular structure lightbox
CAS RN: 107007-99-8

Granisetron Hydrochloride

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2 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250310 1g Out of stock Inquiry
Batchno.20250805 250mg In stock Shanghai Inquiry
  • Product code: SSC-008481
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 107007-99-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

107007-99-8 / 1-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)indazole-3-carboxamide;hydrochloride

[3H]GRANISETRON | (3H)granisetron | 1-methyl-N-(9-methyl-9-azabicyclo(3.3.1)nonan-7-yl)indazole-3-carboxamide

Standard CAS: 107007-99-8 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
107007-99-8
Multi CAS
Yes
Molecular Formula
C18H25ClN4O
Molecular Weight
348.900000
Exact Mass
348.171689
SMILES
CN1C2CCCC1CC(C2)NC(=O)C3=NN(C4=CC=CC=C43)C.Cl
InChI
InChI=1S/C18H24N4O.ClH/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);1H
InChIKey
QYZRTBKYBJRGJB-UHFFFAOYSA-N
Synonyms
[3H]GRANISETRON (3H)granisetron 1-methyl-N-(9-methyl-9-azabicyclo(3.3.1)nonan-7-yl)indazole-3-carboxamide 1-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-7-yl)indazole-3-carboxamide RefChem:1050227

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
9
Fraction Csp3
0.56
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
97.64
TPSA
50.16

LogP / Solubility

WLOGP
2.74
MLOGP
2.43
XLogP3
2.74
Consensus LogP
2.64
Log S (ESOL)
-3.87
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.4
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.44
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.9

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
6

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (99%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501

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