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CAS 64228-81-5 Atracurium besylate molecular structure lightbox
CAS RN: 64228-81-5

Atracurium besylate

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260404 1ml In stock Inquiry
  • Product code: SSC-174000
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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: ≥97%
  • 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 64228-81-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Hong Kong Inquiry

64228-81-5 / benzenesulfonate;5-[3-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoyloxy]pentyl 3-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoate

Standard CAS: 64228-81-5 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
64228-81-5
Multi CAS
Yes
Molecular Formula
C65H82N2O18S2
Molecular Weight
1243.500000
Exact Mass
1242.500406
InChI
InChI=1S/C53H72N2O12.2C6H6O3S/c1-54(22-18-38-32-48(62-7)50(64-9)34-40(38)42(54)28-36-14-16-44(58-3)46(30-36)60-5)24-20-52(56)66-26-12-11-13-27-67-53(57)21-25-55(2)23-19-39-33-49(63-8)51(65-10)35-41(39)43(55)29-37-15-17-45(59-4)47(31-37)61-6;2*7-10(8,9)6-4-2-1-3-5-6/h14-17,30-35,42-43H,11-13,18-29H2,1-10H3;2*1-5H,(H,7,8,9)/q+2;;/p-2
InChIKey
XXZSQOVSEBAPGS-UHFFFAOYSA-L

Physical Properties

Melting Point
85-90

Computed Properties

Structural Parameters

Heavy atom count
87
Aromatic heavy atom count
36
Fraction Csp3
0.42
Rotatable bonds
26
H-bond acceptors
18
Molar refractivity
324.13
TPSA
240.84

LogP / Solubility

WLOGP
9.25
MLOGP
8.26
XLogP3
9.25
Consensus LogP
8.92
Log S (ESOL)
-11.97
Class (ESOL)
Insoluble
Log S (Ali)
-16.43
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-18.54
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.74

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
8.5

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