UCSF

ZINC03831429

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2005 13 Yes

Other Names:

"1-(1-Adamantyl)ethylamine hydrochloride, 99%"

(1S)-1-(adamantan-1-yl)ethan-1-amine

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

(a)tadine

mantadine

.alpha.-Methyladamantanemethylamine

1-(1-adamantyl)-ethylamine

1-(1-Adamantyl)ethanamine

1-(1-adamantyl)ethanamine hydrochloride

1-(1-Adamantyl)ethylamin

1-(1-adamantyl)ethylamine

1-(1-adamantyl)ethylamine hydrochloride

1-(1-Adamantyl)ethylamine hydrochloride, 99%

1-(1-Aminoethyl)adamantane hydrochloride

1-(1-Aminoethyl)adamantane hydrochloride; 1-Adamantanemethylamine, alpha-methyl-, hydrochloride; Adamantane, 1-(1-aminoethyl)-, hydrochloride; C12H21N.HCl; EXP 126; FLUMADINE; JP 61; LS-15020; Meradane; NSC 206764; RIMANTADINE HCL; RIMANTADINE HYDROCHLORI

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

1-(Adamantan-1-yl)ethanamine

1-(Adamantan-1-yl)ethanamine hydrochloride

1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethanamine

1-Adamantan-1-yl-ethylamine

1-Adamantan-1-ylethylamine

1-ADAMANTANEACETONITRILE

1-Adamantanemethylamine, .alpha.-methyl-

1-ADAMANTANEMETHYLAMINE, alpha-METHYL-

1-tricyclo[3.3.1.1~3,7~]dec-1-ylethanamine

13392-28-4

13392-28-4; D08483; Rimantadine (INN)

1501-84-4; C08094; Rimantadine hydrochloride

1501-84-4; D00901; Flumadine (TN); Rimantadine hydrochloride (USAN)

2-methyl-5-nitrobenzenesulfonic acid - [1-(1-adamantyl)ethyl]amine (1:1)

AC1L1JJO

AC1Q2B57

AC1Q2BAB

ADAMANTYLETHYLAMINEHYDROCHLORID

AKOS000264537

Algirem

alpha-Methyl-1-adamantanemethylamine

alpha-Methyladamantanemethylamine

Ambap13392-28-4

benzenesulfonic acid, 2-methyl-5-nitro-, compd. with alpha-methyltricyclo[3.3.1.1~3,7~]decane-1-methanamine (1:1)

BRN 2715740

C07236

CHEMBL959

CID5071

CPD000436311; Flumadine; SAM002264596

D08483

DAP001087

DB00478

Enamine_005755

EXP-126

Flumadine

HMS1410F13

HMS2090L19

HSDB 7438

IDI1_007990

INN); Rimantadine HCl (FDA

INN); Rimantadine Hydrochloride (FDA

LS-15019

Maybridge1_002066

Meradan

MFCD00072023

MFCD00869344

MFCD04222146

MFCD14705942

MFCD22628399

MolPort-000-892-068

MolPort-001-794-501

N/A

NCGC00159491-02

NCGC00159491-03

Oclovir

Oprea1_602732

Remantadine

Riamantadine

Rimant

Rimant & .alpha. IFN

Rimantadina

Rimantadina [INN-Spanish]

Rimantadine

Rimantadine (BAN

Rimantadine (Flumadine)

Rimantadine (INN)

Rimantadine HCl

Rimantadine Hydrochloride

Rimantadine hydrochloride, 99%+

Rimantadine [INN:BAN]

Rimantadine, HCl

Rimantadinum

Rimantadinum [INN-Latin]

Rimantidine & .alpha.IFN

Roflual

STK177253

STOCK4S-93186

Tricyclo(3.3.1.1(sup 3,7))decane-1-methanamine, alpha-methyl-

Tricyclo(3.3.1.13,7)decane-1-methanamine, alpha-methyl-

Tricyclo(3.3.1.1^3,7)decane-1-methanamine, .alpha.-methyl-

Tricyclo(3.3.1.1^3,7)decane-1-methanamine, .alpha.-methyl- & IFN.alpha

tricyclo[3.3.1.13,7]decane-1-methanamine, a-methyl-, hydrochloride

tricyclo[3.3.1.1~3,7~]decane-1-methanamine, alpha-methyl-, hydrochloride

UNII-0T2EF4JQTU

USAN

USAN)

USP

USP)

[1-(1-Adamantyl)ethyl]amine hydrochloride

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.46 5.01 -42.88 3 1 1 28 180.315 1

Vendor Notes

Note Type Comments Provided By
MP 300 - 302 Enamine Building Blocks
MP 300...302 Enamine Building Blocks
MP 375 TCI
Melting_Point 375? Alfa-Aesar
Melting_Point 375° Alfa-Aesar
MP 378 - 380 Enamine Building Blocks
MP 378...380 Enamine Building Blocks
ALOGPS_SOLUBILITY 9.15e-03 g/l DrugBank-approved
purity 9.500000000000000e+001 Enamine Building Blocks
BP [°C] 93 (p=0.2 torr) Acros Organics
purity 95 Enamine Building Blocks
Purity 97% APIChem
Mp [°C] >300 Acros Organics
Target Antifection Selleck Chemicals
Therapy antiviral SMDC Pharmakon
H phrase H302: Harmful if swallowed Acros Organics
Indications influenza A virus KeyOrganics Bioactives
Warnings IRRITANT Matrix Scientific
PUBCHEM_SUBSTANCE_COMMENT NCC_SAMPLE_SUPPLIER : LightBiologicals; NCC_SUPPLIER_STRUCTURE_ID : A-8326; 1 hydrogen chloride NIH Clinical Collection via PubChem
Target Others Selleck Chemicals
P phrase P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell Acros Organics
R phrase R22: Harmful if swallowed. Acros Organics
PUBCHEM_SUBSTANCE_COMMENT SAMPLE_SUPPLIER: LightBiologicals; SUPPLIER_STRUCTURE_ID: A-8326; SALT: 1 hydrogen chloride NIH Clinical Collection via PubChem
Hazard XN: Harmful Acros Organics

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z101822-2-O H3N2 Subtype (cluster #2 Of 2), Other Other 850 0.65 Functional ≤ 10μM
Z50038-2-O Plasmodium Yoelii Yoelii (cluster #2 Of 2), Other Other 36 0.80 Functional ≤ 10μM
Z50142-2-O Influenza A Virus (A/PR/8/34(H1N1)) (cluster #2 Of 2), Other Other 10000 0.54 Functional ≤ 10μM
Z50418-3-O Trypanosoma Brucei (cluster #3 Of 6), Other Other 7040 0.55 Functional ≤ 10μM
Z50652-2-O Influenza A Virus (cluster #2 Of 4), Other Other 5600 0.57 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z101822 Z101822 H3N2 Subtype 850 0.65 Functional ≤ 10μM
Z50652 Z50652 Influenza A Virus 360 0.69 Functional ≤ 10μM
Z50142 Z50142 Influenza A Virus (A/PR/8/34(H1N1)) 10000 0.54 Functional ≤ 10μM
Z50038 Z50038 Plasmodium Yoelii Yoelii 35.6 0.80 Functional ≤ 10μM
Z50418 Z50418 Trypanosoma Brucei 7040 0.55 Functional ≤ 10μM

Analogs ( Draw Identity 99% 90% 80% 70% )