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41100-52-1 molecular structure
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3,5-dimethyladamantan-1-amine hydrochloride

ChemBase ID: 55389
Molecular Formular: C12H22ClN
Molecular Mass: 215.76278
Monoisotopic Mass: 215.14407739
SMILES and InChIs

SMILES:
C1C2(CC3(CC1(CC(C2)C3)C)N)C.Cl
Canonical SMILES:
CC12CC3CC(C1)(C)CC(C2)(C3)N.Cl
InChI:
InChI=1S/C12H21N.ClH/c1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10;/h9H,3-8,13H2,1-2H3;1H
InChIKey:
LDDHMLJTFXJGPI-UHFFFAOYSA-N

Cite this record

CBID:55389 http://www.chembase.cn/molecule-55389.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3,5-dimethyladamantan-1-amine hydrochloride
IUPAC Traditional name
memantine hydrochloride
Synonyms
Namenda
Memantine hydrochloride
3,5-Dimethyladamantan-1-amine hydrochloride
3,5-Dimethyltricyclo[3.3.1.13,7]decan-1-amine Hydrochloride
3,5-Dimethyl-1-adamantanamine
1-Amino-3,5-dimethyladamantane Hydrochloride
Akatinol
Axura
Ebix
Ebixia
Ebixza
NSC 102290
SUN Y7017
Tocris
(3,5-Dimethyl-1-adamantyl)amine hydrochloride
3,5-Dimethyl-1-adamantanamine hydrochloride
3,5-Dimethylamantadine hydrochloride
Memantine hydrochloride
3,5-Dimethyladamantan-1-amine
3,5-二甲基-1-三环癸烷胺 盐酸盐
3,5-二甲基三环癸烷胺 盐酸盐
美金胺 盐酸盐
CAS Number
41100-52-1
19982-08-2
EC Number
255-219-6
MDL Number
MFCD00214336
PubChem SID
162060152
24277990
PubChem CID
181458

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.9641042  LogD (pH = 7.4) -0.7781375 
Log P 2.0660417  Molar Refractivity 54.4858 cm3
Polarizability 22.19729 Å3 Polar Surface Area 26.02 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Pharmacology Properties Product Information Bioassay(PubChem)
Solubility
DMSO expand Show data source
Methanol expand Show data source
Apperance
White Solid expand Show data source
Melting Point
>300°C (sublimes) expand Show data source
Storage Condition
-20°C expand Show data source
-20°C Freezer expand Show data source
Room Temperature (15-30°C) expand Show data source
Storage Warning
IRRITANT expand Show data source
RTECS
YD1958750 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
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German water hazard class
3 expand Show data source
TSCA Listed
false expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Target
AMPA/kainate receptor expand Show data source
Gene Information
human ... DRD1(1812), DRD2(1813), DRD3(1814), DRD4(1815), DRD5(1816) expand Show data source
Purity
≥98% expand Show data source
≥98% (GC) expand Show data source
95+% expand Show data source
Salt Data
hydrochloride expand Show data source
Certificate of Analysis
Download expand Show data source
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Empirical Formula (Hill Notation)
C12H21N · HCl expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Selleck Chemicals Selleck Chemicals Sigma Aldrich Sigma Aldrich TRC TRC
MP Biomedicals - 02193681 external link
Hydrochloride Purity: >98% An NMDA receptor antagonist and dopamine release stimulator.
Selleck Chemicals - S2043 external link
Research Area: Cancer
Biological Activity:
Sigma Aldrich - M9292 external link
Biochem/physiol Actions
Low-affinity NMDA glutamate receptor antagonist; stimulates dopamine release.
Toronto Research Chemicals - M218000 external link
Used as an antiparkinsonian and antispasmodic.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Rohde, H., et al.: Fortschr. Med., 100, 2023 (1982)
  • • Kornhuber, J., et al.: Eur. J. Pharmacol., 166, 589 (1982)
  • • Gortelmeyer, R. and Erbler, H.: Arzneimittel-Forsch., 42, 904 (1992)
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PATENTS

PATENTS

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INTERNET

INTERNET

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