Compound Summary
Compound Information
CLEMASTINE FUMARATE
Compound Name: | CLEMASTINE FUMARATE |
Compound CID: | 5281069 |
Synonyms: | CLEMASTINE FUMARATE 14976-57-9 Tavist Agasten Clemastine hydrogen fumarate More... |
Iupac Name: | (E)-but-2-enedioic acid;(2R)-2-[2-[(1R)-1-(4-chlorophenyl)-1-phenylethoxy]ethyl]-1-methylpyrrolidine |
InChI: | InChI=1S/C21H26ClNO.C4H4O4/c1-21(17-7-4-3-5-8-17,18-10-12-19(22)13-11-18)24-16-14-20-9-6-15-23(20)2;5-3(6)1-2-4(7)8/h3-5,7-8,10-13,20H,6,9,14-16H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+/t20-,21-;/m1./s1 |
InChIKey: | PMGQWSIVQFOFOQ-YKVZVUFRSA-N |
Canonical Smiles: | CC(C1=CC=CC=C1)(C2=CC=C(C=C2)Cl)OCCC3CCCN3C.C(=CC(=O)O)C(=O)O |
Isomeric Smiles: | C[C@@](C1=CC=CC=C1)(C2=CC=C(C=C2)Cl)OCC[C@H]3CCCN3C.C(=C/C(=O)O)\C(=O)O |
Molecular Weight: | 460 |
Molecular Formula: | C25H30ClNO5 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
CLEMASTINE FUMARATE
Molecular Weight: | 460 |
Molecular Formula: | C25H30ClNO5 |
Hydrogen Bond Donor Count: | 2 |
Hydrogen Bond Acceptor Count: | 6 |
Rotatable Bond Count: | 8 |
Heavy Atom Count: | 32 |
Complexity: | 495 |
Synonyms
CLEMASTINE FUMARATE
| CLEMASTINE FUMARATE | CLEMASTINE FUMARATE |
|---|---|
CLEMASTINE FUMARATE |
14976-57-9 |
Tavist |
Agasten |
Clemastine hydrogen fumarate |
Meclastine fumarate |
Tavegil |
Clemastine (fumarate) |
UNII-19259EGQ3D |
(R)-2-(2-((R)-1-(4-chlorophenyl)-1-phenylethoxy)ethyl)-1-methylpyrrolidine fumarate |
CHEBI:3739 |
Mecloprodine |
Aloginan |
Xolamin |
19259EGQ3D |
(+)-(2R)-2-(2-(((R)-p-Chloro-alpha-methyl-alpha-phenylbenzyl)oxy)ethyl)-1-methylpyrrolidine fumarate (1:1) |
14976-57-9 (FUMARATE) |
Alphamin |
Anhistan |
Clemanil |
Fuluminol |
Inbestan |
Kinotomin |
Lacretin |
Lecasol |
Maikohis |
Marsthine |
Masletine |
Piloral |
Reconin |
Tavegyl |
Trabest |
Mallermin-F |
Telgin-G |
DSSTox_CID_27765 |
DSSTox_RID_82542 |
DSSTox_GSID_47785 |
Tavist-1 |
Meclastine hydrogen fumarate |
(2E)-but-2-enedioic acid; (2R)-2-{2-(1R)-1-(4-chlorophenyl)-1-phenylethoxyethyl}-1-methylpyrrolidine |
(E)-but-2-enedioic acid;(2R)-2-2-(1R)-1-(4-chlorophenyl)-1-phenylethoxyethyl-1-methylpyrrolidine |
HSDB 6507 |
Topcare dayhist allergy |
NCGC00016710-01 |
Contac 12 Hour Allergy |
EINECS 239-055-2 |
CAS-14976-57-9 |
(R)-2-2-(R)-1-(4-Chlorophenyl)-1-phenylethoxyethyl-1-methylpyrrolidine fumarate |
Prestwick_680 |
Meclastine (fumarate) |
Clemastinefumarate,(S) |
Clemastine fumarate USAN:USP:BAN:JAN |
HS-592 (fumarate) |
(+)-2-(2-((p-Chloro-alpha-methyl-alpha-phenylbenzyl)oxy)ethyl)-1-methyl pyrrolidine fumarate |
SCHEMBL33403 |
SCHEMBL41468 |
SPECTRUM1500191 |
CHEMBL1200795 |
DTXSID6047785 |
HMS500O07 |
HY-B0298A |
HMS1568N14 |
HMS1920O13 |
HMS2091E20 |
HMS2095N14 |
HMS3267L12 |
HMS3412B19 |
HMS3676B19 |
HMS3712N14 |
HMS3884K12 |
Pharmakon1600-01500191 |
BCP27945 |
Tox21_110574 |
CCG-40028 |
MFCD00137486 |
NSC756685 |
s1847 |
AKOS015896237 |
AKOS037643271 |
Tox21_110574_1 |
AC-1338 |
NSC-756685 |
NCGC00016710-05 |
NCGC00180903-01 |
NCGC00180903-02 |
(R-(R*,R*))-2-(2-(1-(p-Chlorophenyl)-1-phenylethoxy)ethyl)-1-methylpyrrolidinium hydrogen fumarate |
AS-12093 |
BC164321 |
Pyrrolidine, 2-(2-((p-chloro-alpha-methyl-alpha-phenylbenzyl)oxy)ethyl)-1-methyl-, (+)-, fumarate (1:1) |
Pyrrolidine, 2-(2-(1-(4-chlorophenyl)-1-phenylethoxy)ethyl)-1-methyl-, (R-(R*,R*))-, (E)-2-butenedioate (1:1) |
Clemastine fumarate salt, >=98% (HPLC) |
SW196835-3 |
H10994 |
976C579 |
SR-05000001590 |
SR-05000001590-1 |
Q27106180 |
Clemastine fumarate, European Pharmacopoeia (EP) Reference Standard |
Clemastine fumarate, United States Pharmacopeia (USP) Reference Standard |
(2R)-2-2-(1R)-1-(4-Chlorophenylethoxyethyl-1-methyl-2-pyrrolidine fumarate |
Clemastine for system suitability, European Pharmacopoeia (EP) Reference Standard |
(2R)-2-2-(1R)-1-(4-chlorophenyl)-1-phenylethoxyethyl-1-methylpyrrolidin-1-ium;(E)-4-hydroxy-4-oxobut-2-enoate |
(2R)-2-{2-(1R)-1-(4-chlorophenyl)-1-phenylethoxyethyl}-1-methylpyrrolidine (2E)-but-2-enedioate |
(2R)-2-{2-(1R)-1-(4-chlorophenyl)-1-phenylethoxyethyl}-1-methylpyrrolidinium (2E)-3-carboxyprop-2-enoate |
Pyrrolidine,2-2-(1R)-1-(4-chlorophenyl)-1-phenylethoxyethyl-1-methyl-, (2R)-,(2E)-2-butenedioate (1:1) |
Experimental Data
CLEMASTINE FUMARATE
| Species | Dosage | Unit | CG Lifespan(AVG/MED days) | TG Lifespan(AVG/MED days) | Lifespan Change(AVG/MED%) | CG Lifespan(MAX days) | TG Lifespan(MAX days) | Lifespan Change(MAX%) | Significant | Strain | Gender | PubMed | Active Label |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Caenorhabditis elegans | 33 | umol/L | -19 | NS | N2 | 24134630 | Inactive |
Experimental Data Visualization
CLEMASTINE FUMARATE
Statistics Data
CLEMASTINE FUMARATE
| Species | Lifespan Change(AVG/MED%) | Lifespan Change(MAX%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | -19 | 1 | 1 |
Statistics Data Visualization
CLEMASTINE FUMARATE
