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CAS 133-51-7 Methylglucamine antimonate molecular structure lightbox
CAS RN: 133-51-7

Methylglucamine antimonate

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260207 1g / 5g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS133-51-7
  • Purity/Analytical Methods: >99.0%
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133-51-7 / hydroxy(dioxo)-lambda5-stibane;(2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol

Standard CAS: 133-51-7 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
133-51-7
Multi CAS
No
Molecular Formula
C7H18NO8Sb
Molecular Weight
365.980000
Exact Mass
365.007050
SMILES
CNC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O.O[Sb](=O)=O
InChI
InChI=1S/C7H17NO5.H2O.2O.Sb/c1-8-2-4(10)6(12)7(13)5(11)3-9;;;;/h4-13H,2-3H2,1H3;1H2;;;/q;;;;+1/p-1/t4-,5+,6+,7+;;;;/m0..../s1
InChIKey
XOGYVDXPYVPAAQ-SESJOKTNSA-M

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
1
Rotatable bonds
6
H-bond acceptors
8
H-bond donors
7
Molar refractivity
54.39
TPSA
167.55

LogP / Solubility

WLOGP
-4.53
MLOGP
-3.97
XLogP3
-4.53
Consensus LogP
-4.34
Log S (ESOL)
1.14
Class (ESOL)
Highly soluble
Log S (Ali)
0.71
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-8.17

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5

Safety & Transport

Pictogram(s)
Irritant Environmental Hazard
Signal
Warning
GHS Hazard Statements
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral] H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation] H411 (50%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P261, P264, P270, P271, P273, P301+P317, P304+P340, P317, P330, P391, and P501

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