[email protected]
CAS 104344-23-2 Bisoprolol Hemifumarate molecular structure lightbox
CAS RN: 104344-23-2

Bisoprolol Hemifumarate

Product Availability

Choose a grade to view its available package options.

7 package records7 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20251120 100mg In stock Inquiry
Batchno.20250120 1g In stock Inquiry
Batchno.20250627 250mg In stock Inquiry
Batchno.20250925 25g In stock Inquiry
Batchno.20250507 25mg In stock Inquiry
Batchno.20260404 500mg In stock Inquiry
Batchno.20251214 5g In stock Inquiry
  • Product code: ICTB3994
  • Purity/Analytical Methods: >98.0%(T)(HPLC)
GET A QUOTE

104344-23-2 / (E)-but-2-enedioic acid;bis(1-(propan-2-ylamino)-3-[4-(2-propan-2-yloxyethoxymethyl)phenoxy]propan-2-ol)

Bisoprolol fumarate | Bisoprolol hemifumarate | Zebeta

Standard CAS: 104344-23-2 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
104344-23-2
Multi CAS
Yes
Molecular Formula
C40H66N2O12
Molecular Weight
767.000000
Exact Mass
766.461576
SMILES
CC(C)NCC(COC1=CC=C(C=C1)COCCOC(C)C)O.CC(C)NCC(COC1=CC=C(C=C1)COCCOC(C)C)O.C(=C/C(=O)O)\C(=O)O
InChI
InChI=1S/2C18H31NO4.C4H4O4/c2*1-14(2)19-11-17(20)13-23-18-7-5-16(6-8-18)12-21-9-10-22-15(3)4;5-3(6)1-2-4(7)8/h2*5-8,14-15,17,19-20H,9-13H2,1-4H3;1-2H,(H,5,6)(H,7,8)/b;;2-1+
InChIKey
VMDFASMUILANOL-WXXKFALUSA-N
Synonyms
Bisoprolol fumarate Bisoprolol hemifumarate Zebeta Detensiel Isoten

Computed Properties

Structural Parameters

Heavy atom count
54
Aromatic heavy atom count
12
Fraction Csp3
0.6
Rotatable bonds
26
H-bond acceptors
12
H-bond donors
6
Molar refractivity
208.06
TPSA
194.5

LogP / Solubility

WLOGP
4.44
MLOGP
3.98
XLogP3
4.44
Consensus LogP
4.29
Log S (ESOL)
-5.84
Class (ESOL)
Slightly soluble
Log S (Ali)
-9.06
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.45
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
Yes
Log Kp (skin permeation)
-4.24

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
5

Safety & Transport

Pictogram(s)
Irritant Health Hazard
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H361 (12.1%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity] H362 (11.3%): May cause harm to breast-fed children [Reproductive toxicity, effects on or via lactation] H412 (10.6%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P203, P260, P263, P264, P270, P273, P280, P301+P317, P318, P330, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us