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CAS 1642-54-2 Diethylcarbamazine Citrate molecular structure lightbox
CAS RN: 1642-54-2

Diethylcarbamazine Citrate

Product Availability

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10 package records10 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250224 1ml In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260113 100g In stock Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250715 100mg In stock Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20260518 1g In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260306 1g In stock Shanghai, Shandong, Chongqing Inquiry
Batchno.20260210 1mg In stock Wuhan Inquiry
Batchno.20250215 250mg In stock Shanghai, Shandong Inquiry
Batchno.20250520 25g In stock Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260209 5g In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20260621 5g In stock Shandong Inquiry
  • Product code: SSC-071658
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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: ≥97%
  • 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 1642-54-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Shanghai Inquiry

1642-54-2 / N,N-diethyl-4-methylpiperazine-1-carboxamide;2-hydroxypropane-1,2,3-tricarboxylic acid

Standard CAS: 1642-54-2 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
1642-54-2
Multi CAS
No
Molecular Formula
C16H29N3O8
Molecular Weight
391.420000
Exact Mass
391.195465
SMILES
CCN(CC)C(=O)N1CCN(CC1)C.C(C(=O)O)C(CC(=O)O)(C(=O)O)O
InChI
InChI=1S/C10H21N3O.C6H8O7/c1-4-12(5-2)10(14)13-8-6-11(3)7-9-13;7-3(8)1-6(13,5(11)12)2-4(9)10/h4-9H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
InChIKey
PGNKBEARDDELNB-UHFFFAOYSA-N

Physical Properties

Melting Point
286 to 289 °F (EPA, 1998) 141-143 °C
Physical Description
Diethylcarbamazine citrate is a crystalline solid, scored white tablets. Used against filariasis in man and animals. (EPA, 1998)
Appearance
White, crystalline powder
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
27
Fraction Csp3
0.75
Rotatable bonds
7
H-bond acceptors
6
H-bond donors
4
Molar refractivity
94.48
TPSA
158.92

LogP / Solubility

WLOGP
-0.55
MLOGP
-0.46
XLogP3
-0.55
Consensus LogP
-0.52
Log S (ESOL)
-1.46
Class (ESOL)
Soluble
Log S (Ali)
-2.37
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.59
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.5

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

Safety & Transport

Pictogram(s)
Acute Toxic
Signal
Danger
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H330 (100%): Fatal if inhaled [Danger Acute toxicity, inhalation]
Precautionary Statement Codes
P260, P264, P270, P271, P284, P301+P317, P304+P340, P316, P320, P330, P403+P233, P405, and P501

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