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CAS 5908-99-6 Atropine Sulfate Monohydrate molecular structure lightbox
CAS RN: 5908-99-6

Atropine Sulfate Monohydrate

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6 package records6 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260414 1ml In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250520 100g In stock Shanghai, Shandong, Hebei Inquiry
Batchno.20250428 1g In stock Shanghai, Shandong, Guangdong, Chongqing, Hebei Inquiry
Batchno.20260604 25g In stock Shanghai, Shandong, Chongqing, Hebei Inquiry
Batchno.20250206 500g In stock Shandong, Chongqing, Hebei Inquiry
Batchno.20260307 5g In stock Shanghai, Shandong, Guangdong, Hebei Inquiry
  • Product code: ICTA0550
  • Purity/Analytical Methods: >99.0%(T)
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5908-99-6 / bis((8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-hydroxy-2-phenylpropanoate);sulfuric acid;hydrate

Standard CAS: 5908-99-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
5908-99-6
Multi CAS
Yes
Molecular Formula
C34H50N2O11S
Molecular Weight
694.800000
Exact Mass
694.313532
InChI
InChI=1S/2C17H23NO3.H2O4S.H2O/c2*1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12;1-5(2,3)4;/h2*2-6,13-16,19H,7-11H2,1H3;(H2,1,2,3,4);1H2
InChIKey
JPKKQJKQTPNWTR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
48
Aromatic heavy atom count
12
Fraction Csp3
0.59
Rotatable bonds
8
H-bond acceptors
10
H-bond donors
4
Molar refractivity
177.7
TPSA
205.64

LogP / Solubility

WLOGP
2.38
MLOGP
2.16
XLogP3
2.38
Consensus LogP
2.31
Log S (ESOL)
-5.31
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.98
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.12
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.27

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
10

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