[email protected]
CAS 117976-90-6 Rabeprazole Sodium Salt molecular structure lightbox
CAS RN: 117976-90-6

Rabeprazole Sodium Salt

Product Availability

Choose a grade to view its available package options.

6 package records6 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250512 100mg In stock Guangdong Inquiry
Batchno.20251130 1g In stock Shandong Inquiry
Batchno.20250607 25mg In stock Shanghai, Shandong, Chongqing Inquiry
Batchno.20250405 5g In stock Shanghai, Shandong Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251111 25mg / 100mg / 1g / 5g Confirm by inquiry Shanghai, Shandong Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250707 25mg In stock Shanghai, Shandong, Hebei Inquiry
  • Product code: ICTR0115
  • Purity/Analytical Methods: >98.0%(HPLC)
GET A QUOTE

117976-90-6 / sodium 2-[[4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]methylsulfinyl]benzimidazol-1-ide

Dexrabeprazole sodium | (R)-Rabeprazole sodium | O7PHQ4KA8X

Standard CAS: 117976-90-6 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
117976-90-6
Multi CAS
Yes
Molecular Formula
C18H20N3NaO3S
Molecular Weight
381.400000
Exact Mass
381.112307
SMILES
CC1=C(C=CN=C1CS(=O)C2=NC3=CC=CC=C3[N-]2)OCCCOC.[Na+]
InChI
InChI=1S/C18H20N3O3S.Na/c1-13-16(19-9-8-17(13)24-11-5-10-23-2)12-25(22)18-20-14-6-3-4-7-15(14)21-18;/h3-4,6-9H,5,10-12H2,1-2H3;/q-1;+1
InChIKey
KRCQSTCYZUOBHN-UHFFFAOYSA-N
Synonyms
Dexrabeprazole sodium (R)-Rabeprazole sodium O7PHQ4KA8X (R)-E 3810 1H-Benzimidazole, 2-((R)-((4-(3-methoxypropoxy)-3-methyl-2-pyridinyl)methyl)sulfinyl)-, sodium salt

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
15
Fraction Csp3
0.33
Rotatable bonds
8
H-bond acceptors
5
Molar refractivity
96.14
TPSA
75.41

LogP / Solubility

WLOGP
-0.38
MLOGP
-0.31
XLogP3
-0.38
Consensus LogP
-0.36
Log S (ESOL)
-1.87
Class (ESOL)
Soluble
Log S (Ali)
-2.42
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.79
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.31

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

Safety & Transport

Pictogram(s)
Irritant Health Hazard
Signal
Warning
GHS Hazard Statements
H302 (71.4%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (71.4%): Causes skin irritation [Warning Skin corrosion/irritation] H317 (14.3%): May cause an allergic skin reaction [Warning Sensitization, Skin] H319 (57.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (28.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P308+P316, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us