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CAS 1005341-52-5 (1R)-1-(adamantan-1-yl)ethan-1-amine hydrochloride molecular structure lightbox
CAS RN: 1005341-52-5

(1R)-1-(adamantan-1-yl)ethan-1-amine hydrochloride

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251022 100mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS1005341-52-5
  • Purity/Analytical Methods: >99.0%
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1005341-52-5 / (1R)-1-(1-adamantyl)ethanamine;hydrochloride

Rimantadine hydrochloride | Flumadine | Rimantadine HCL

Standard CAS: 1005341-52-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1005341-52-5
Multi CAS
Yes
Molecular Formula
C12H22ClN
Molecular Weight
215.760000
Exact Mass
215.144077
SMILES
C[C@H](C12CC3CC(C1)CC(C3)C2)N.Cl
InChI
InChI=1S/C12H21N.ClH/c1-8(13)12-5-9-2-10(6-12)4-11(3-9)7-12;/h8-11H,2-7,13H2,1H3;1H/t8-,9?,10?,11?,12?;/m1./s1
InChIKey
OZBDFBJXRJWNAV-VUPGYFAFSA-N
Synonyms
Rimantadine hydrochloride Flumadine Rimantadine HCL Meradane alpha-Methyl-1-adamantanemethylamine hydrochloride

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
61.5
TPSA
26.02

LogP / Solubility

WLOGP
2.97
MLOGP
2.62
XLogP3
2.97
Consensus LogP
2.85
Log S (ESOL)
-2.98
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.47
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.65
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.93

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
6.5

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