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CAS 173334-58-2 Aliskiren hemifumarate molecular structure lightbox
CAS RN: 173334-58-2

Aliskiren hemifumarate

Product Availability

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14 package records10 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250217 100mg In stock Inquiry
Batchno.20260615 10mg In stock Inquiry
Batchno.20250730 1g Out of stock Inquiry
Batchno.20250803 250mg In stock Inquiry
Batchno.20250412 500mg In stock Inquiry
Batchno.20251211 50mg In stock Inquiry
Batchno.20260323 5g Out of stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250522 100mg Out of stock Inquiry
Batchno.20260501 10mg In stock Shanghai Inquiry
Batchno.20251108 1g In stock Shanghai Inquiry
Batchno.20260628 1mg In stock Shanghai Inquiry
Batchno.20250708 250mg In stock Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20250523 50mg In stock Shanghai Inquiry
Batchno.20251113 5g Out of stock Inquiry
  • Product code: SSC-076121
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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: ≥95%
  • 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 173334-58-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

173334-58-2 / bis((2S,4S,5S,7S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-2-propan-2-ylnonanamide);(E)-but-2-enedioic acid

Standard CAS: 173334-58-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
173334-58-2
Multi CAS
No
Molecular Formula
C64H110N6O16
Molecular Weight
1219.600000
Exact Mass
1218.797831
SMILES
CC(C)[C@@H](CC1=CC(=C(C=C1)OC)OCCCOC)C[C@@H]([C@H](C[C@@H](C(C)C)C(=O)NCC(C)(C)C(=O)N)O)N.CC(C)[C@@H](CC1=CC(=C(C=C1)OC)OCCCOC)C[C@@H]([C@H](C[C@@H](C(C)C)C(=O)NCC(C)(C)C(=O)N)O)N.C(=C/C(=O)O)\C(=O)O
InChI
InChI=1S/2C30H53N3O6.C4H4O4/c2*1-19(2)22(14-21-10-11-26(38-8)27(15-21)39-13-9-12-37-7)16-24(31)25(34)17-23(20(3)4)28(35)33-18-30(5,6)29(32)36;5-3(6)1-2-4(7)8/h2*10-11,15,19-20,22-25,34H,9,12-14,16-18,31H2,1-8H3,(H2,32,36)(H,33,35);1-2H,(H,5,6)(H,7,8)/b;;2-1+/t2*22-,23-,24-,25-;/m00./s1
InChIKey
KLRSDBSKUSSCGU-KRQUFFFQSA-N

Computed Properties

Structural Parameters

Heavy atom count
86
Aromatic heavy atom count
12
Fraction Csp3
0.69
Rotatable bonds
40
H-bond acceptors
16
H-bond donors
10
Molar refractivity
333.5
TPSA
366.86

LogP / Solubility

WLOGP
6.3
MLOGP
5.67
XLogP3
6.3
Consensus LogP
6.09
Log S (ESOL)
-8.83
Class (ESOL)
Insoluble
Log S (Ali)
-14.11
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-17.62
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)
-5.69

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

Safety & Transport

Pictogram(s)
Irritant Health Hazard
Signal
Danger
GHS Hazard Statements
H302 (15.4%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (69.2%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (69.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (92.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] H360 (84.6%): May damage fertility or the unborn child [Danger Reproductive toxicity]
Precautionary Statement Codes
P203, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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