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CAS 113775-47-6 Dexmedetomidine molecular structure lightbox
CAS RN: 113775-47-6

Dexmedetomidine

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20251231 100mg In stock Inquiry
Batchno.20250128 250mg In stock Inquiry
Batchno.20250408 50mg In stock Inquiry
  • Product code: SSC-013767
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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
  • 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 113775-47-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥97% 0 Out of Stock Beijing Inquiry
0.25g ≥97% 0 Out of Stock Shenzhen Inquiry

113775-47-6 / 5-[(1S)-1-(2,3-dimethylphenyl)ethyl]-1H-imidazole

levomedetomidine | (R)-Medetomidine | (-)-Medetomidine

Standard CAS: 113775-47-6 Multi CAS: Yes
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
113775-47-6
Multi CAS
Yes
Molecular Formula
C13H16N2
Molecular Weight
200.280000
Exact Mass
200.131349
SMILES
CC1=C(C(=CC=C1)[C@H](C)C2=CN=CN2)C
InChI
InChI=1S/C13H16N2/c1-9-5-4-6-12(10(9)2)11(3)13-7-14-8-15-13/h4-8,11H,1-3H3,(H,14,15)/t11-/m0/s1
InChIKey
CUHVIMMYOGQXCV-NSHDSACASA-N
Synonyms
levomedetomidine (R)-Medetomidine (-)-Medetomidine 4-[(1R)-1-(2,3-dimethylphenyl)ethyl]-1H-imidazole Medetomidine, (R)-

Physical Properties

Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
11
Fraction Csp3
0.31
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
62.02
TPSA
28.68

LogP / Solubility

WLOGP
3.18
MLOGP
2.8
XLogP3
3.1
Consensus LogP
3.03
Log S (ESOL)
-3.49
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.5
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.84
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.69

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

Safety & Transport

Pictogram(s)
Irritant Health Hazard
Signal
Danger
GHS Hazard Statements
H317 (66.7%): May cause an allergic skin reaction [Warning Sensitization, Skin] H360 (66.7%): May damage fertility or the unborn child [Danger Reproductive toxicity] H370 (33.3%): Causes damage to organs [Danger Specific target organ toxicity, single exposure] H373 (66.7%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]
Precautionary Statement Codes
P203, P260, P261, P264, P270, P272, P280, P302+P352, P308+P316, P318, P319, P321, P333+P317, P362+P364, P405, and P501

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