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Compound Summary

CLEMASTINE FUMARATE

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	Dose	Unit	Control(Avg days)	Treatment(Avg days)	Avg/Med Lifespan Change(%)	Control(Max days)	Treatment(Max days)	Max Lifespan Change(%)	Significant	Strain	Gender	PubMed	Avg/Med Lifespan Change tab
Caenorhabditis elegans	33.000000000000000	umol/L			-19.000000000000000				NS	N2		24134630	Inactive

Experimental Data Visualization

CLEMASTINE FUMARATE

Statistics Data

CLEMASTINE FUMARATE

Species	Avg/Med Lifespan Change(%)	Max Lifespan Change(%)	Count Reference	Count Data point
Caenorhabditis elegans	-19.000000000000000		1	1

Statistics Data Visualization

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

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

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

CLEMASTINE FUMARATE

14976-57-9

Tavist

Agasten

Clemastine hydrogen fumarate

More...

(R-(R,R))-2-(2-(1-(p-Chlorophenyl)-1-phenylethoxy)ethyl)-1-methylpyrrolidinium hydrogen fumarate

Pyrrolidine, 2-(2-(1-(4-chlorophenyl)-1-phenylethoxy)ethyl)-1-methyl-, (R-(R,R))-, (E)-2-butenedioate (1:1)