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CAS 112773-90-7 ROPIVACAINE RELATED COMPOUND B (50 MG) ((R)-(+)-1 -PROPYLPIPERIDINE-2-CARBOXYLIC ACID (2,6-DIMETHYLPHENYL)-AMIDE HYDROCHLORIDE MONOHYDRATE) molecular structure lightbox
CAS RN: 112773-90-7

ROPIVACAINE RELATED COMPOUND B (50 MG) ((R)-(+)-1 -PROPYLPIPERIDINE-2-CARBOXYLIC ACID (2,6-DIMETHYLPHENYL)-AMIDE HYDROCHLORIDE MONOHYDRATE)

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251129 100mg / 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: SSC-013080
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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 112773-90-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

112773-90-7 / (2R)-N-(2,6-dimethylphenyl)-1-propylpiperidine-2-carboxamide;hydrochloride

N-(2,6-Dimethylphenyl)-1-propylpiperidine-2-carboxamide hydrochloride | C17H27ClN2O | MFCD12026419

Standard CAS: 112773-90-7 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
112773-90-7
Multi CAS
Yes
Molecular Formula
C17H27ClN2O
Molecular Weight
310.900000
Exact Mass
310.181191
SMILES
CCCN1CCCC[C@@H]1C(=O)NC2=C(C=CC=C2C)C.Cl
InChI
InChI=1S/C17H26N2O.ClH/c1-4-11-19-12-6-5-10-15(19)17(20)18-16-13(2)8-7-9-14(16)3;/h7-9,15H,4-6,10-12H2,1-3H3,(H,18,20);1H/t15-;/m1./s1
InChIKey
NDNSIBYYUOEUSV-XFULWGLBSA-N
Synonyms
N-(2,6-Dimethylphenyl)-1-propylpiperidine-2-carboxamide hydrochloride C17H27ClN2O MFCD12026419 N-(2,6-dimethylphenyl)-1-propylpiperidine-2-carboxamide;hydrochloride (+/-)-Ropivicaine HCl

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.59
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
91.3
TPSA
32.34

LogP / Solubility

WLOGP
3.93
MLOGP
3.47
XLogP3
3.93
Consensus LogP
3.78
Log S (ESOL)
-4.19
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.95
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.42
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.83

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

Safety & Transport

Pictogram(s)
Irritant Health Hazard
Signal
Danger
GHS Hazard Statements
H302 (75%): Harmful if swallowed [Warning Acute toxicity, oral] H336 (25%): May cause drowsiness or dizziness [Warning Specific target organ toxicity, single exposure; Narcotic effects] H370 (25%): Causes damage to organs [Danger Specific target organ toxicity, single exposure] H412 (75%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P260, P261, P264, P270, P271, P273, P301+P317, P304+P340, P308+P316, P319, P321, P330, P403+P233, P405, and P501

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