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CAS 113994-41-5 Dehydro Amlodipine (Amlodipine Impurity D) molecular structure lightbox
CAS RN: 113994-41-5

Dehydro Amlodipine (Amlodipine Impurity D)

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260610 100mg / 250mg / 1g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: SSC-013906
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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: 0.1g, 0.25g, 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 113994-41-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 0 Out of Stock Shenzhen Inquiry
0.25g >95% 0 Out of Stock Beijing Inquiry
1g >95% 0 Out of Stock Shanghai Inquiry

113994-41-5 / 3-O-ethyl 5-O-methyl 2-(2-aminoethoxymethyl)-4-(2-chlorophenyl)-6-methylpyridine-3,5-dicarboxylate

3-Ethyl 5-methyl 2-((2-aminoethoxy)methyl)-4-(2-chlorophenyl)-6-methylpyridine-3,5-dicarboxylate | Amlodipine besilate impurity D | Amlodipine impurity A

Standard CAS: 113994-41-5 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
113994-41-5
Multi CAS
Yes
Molecular Formula
C20H23ClN2O5
Molecular Weight
406.900000
Exact Mass
406.129550
SMILES
CCOC(=O)C1=C(C(=C(N=C1COCCN)C)C(=O)OC)C2=CC=CC=C2Cl
InChI
InChI=1S/C20H23ClN2O5/c1-4-28-20(25)18-15(11-27-10-9-22)23-12(2)16(19(24)26-3)17(18)13-7-5-6-8-14(13)21/h5-8H,4,9-11,22H2,1-3H3
InChIKey
APZSGEHAFPIYQZ-UHFFFAOYSA-N
Synonyms
3-Ethyl 5-methyl 2-((2-aminoethoxy)methyl)-4-(2-chlorophenyl)-6-methylpyridine-3,5-dicarboxylate Amlodipine besilate impurity D Amlodipine impurity A 3-ETHYL 5-METHYL 2-[(2-AMINOETHOXY)METHYL]-4-(2-CHLOROPHENYL)-6-METHYLPYRIDINE-3,5-DICARBOXYLATE UNII-38Q8451QLU

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
12
Fraction Csp3
0.35
Rotatable bonds
8
H-bond acceptors
7
H-bond donors
1
Molar refractivity
105.43
TPSA
100.74

LogP / Solubility

WLOGP
3.15
MLOGP
2.8
XLogP3
2.3
Consensus LogP
2.75
Log S (ESOL)
-4.14
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.17
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.88
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.97

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
2.5

Safety & Transport

Pictogram(s)
Corrosive Acute Toxic Irritant Health Hazard Environmental Hazard
Signal
Danger
GHS Hazard Statements
H301 (94.7%): Toxic if swallowed [Danger Acute toxicity, oral] H315 (94.7%): Causes skin irritation [Warning Skin corrosion/irritation] H318 (89.5%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H373 (89.5%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure] H400 (89.5%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
Precautionary Statement Codes
P260, P264, P264+P265, P270, P273, P280, P301+P316, P302+P352, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P391, P405, and P501

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