CAS RN: 50700-72-6

Vecuronium Bromide

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6 package records6 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260419 10mg In stock Shanghai Inquiry
Batchno.20260612 1g In stock Shanghai Inquiry
Batchno.20250924 1mg In stock Shanghai Inquiry
Batchno.20250906 250mg In stock Shanghai Inquiry
Batchno.20250601 50mg In stock Shanghai, Tianjin Inquiry
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  • Product code: ICTV0120
  • Purity/Analytical Methods: >98.0%(T)(HPLC)
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50700-72-6 / [(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-17-acetyloxy-10,13-dimethyl-16-(1-methylpiperidin-1-ium-1-yl)-2-piperidin-1-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate bromide

Standard CAS: 50700-72-6 Multi CAS: Yes

Basic Information

CAS
50700-72-6
Multi CAS
Yes
Molecular Formula
BC34H57O4Rn2
Molecular Weight
637.700000
Exact Mass
636.350170
InChI
InChI=1S/C34H57N2O4.BrH/c1-23(37)39-31-20-25-12-13-26-27(34(25,4)22-29(31)35-16-8-6-9-17-35)14-15-33(3)28(26)21-30(32(33)40-24(2)38)36(5)18-10-7-11-19-36;/h25-32H,6-22H2,1-5H3;1H/q+1;/p-1/t25-,26+,27-,28-,29-,30-,31-,32-,33-,34-;/m0./s1
InChIKey
VEPSYABRBFXYIB-PWXDFCLTSA-M

Computed Properties

Structural Parameters

Heavy atom count
41
Fraction Csp3
0.94
Rotatable bonds
4
H-bond acceptors
5
Molar refractivity
156.37
TPSA
55.84

LogP / Solubility

WLOGP
2.97
MLOGP
2.67
XLogP3
2.97
Consensus LogP
2.87
Log S (ESOL)
-5.4
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.93
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.75
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-4.5

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
10

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