| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 30th, 2005 | 13 | Yes |
Popular Name: Rimantadine hydrochloride Rimantadine hydrochloride
Find On: PubMed — Wikipedia — Google
CAS Numbers: , 1005341-54-7 , 13392-28-4 , 1501-84-4 , 16269-13-9 , 350818-67-6 , 887336-06-3 , N/A , [1501-84-4]
"1-(1-Adamantyl)ethylamine hydrochloride, 99%"
(1S)-1-(adamantan-1-yl)ethan-1-amine
(1S)-1-(adamantan-1-yl)ethan-1-amine hydrochloride
.alpha.-Methyladamantanemethylamine
1-(1-adamantyl)ethanamine hydrochloride
1-(1-adamantyl)ethylamine hydrochloride
1-(1-Adamantyl)ethylamine hydrochloride, 99%
1-(1-Aminoethyl)adamantane hydrochloride
1-(adamantan-1-yl)ethan-1-amine
1-(Adamantan-1-yl)ethanamine hydrochloride
1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethanamine
1-Adamantanemethylamine, .alpha.-methyl-
1-ADAMANTANEMETHYLAMINE, alpha-METHYL-
1-tricyclo[3.3.1.1~3,7~]dec-1-ylethanamine
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)
ADAMANTYLETHYLAMINEHYDROCHLORID
alpha-Methyl-1-adamantanemethylamine
alpha-Methyladamantanemethylamine
CPD000436311; Flumadine; SAM002264596
INN); Rimantadine Hydrochloride (FDA
Rimantadine hydrochloride, 99%+
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
| 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 | ↓ |
| 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 |
| 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 |
| 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 |
