Klocapramin

Klocapramin
Klinički podaci
Drugs.com	Monografija
Identifikatori
CAS broj	47739-98-0
ATC kod	None
PubChem	CID 2793
ChemSpider	2691
UNII	6EEL1GB72K
KEGG	D07718
Hemijski podaci
Formula	C28H37ClN4O
Molarna masa	481,073
	SMILES NC(=O)C1(CCN(CCCN2c3ccccc3CCc4ccc(Cl)cc24)CC1)N5CCCCC5; ;
	InChI InChI=1S/C28H37ClN4O/c29-24-12-11-23-10-9-22-7-2-3-8-25(22)33(26(23)21-24)18-6-15-31-19-13-28(14-20-31,27(30)34)32-16-4-1-5-17-32/h2-3,7-8,11-12,21H,1,4-6,9-10,13-20H2,(H2,30,34) ; Key:QAZKXHSIKKNOHH-UHFFFAOYSA-N ;

Klocapramin je organsko jedinjenje, koje sadrži 28 atoma ugljenika i ima molekulsku masu od 481,073 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	4
Broj donora vodonika	1
Broj rotacionih veza	6
Particioni koeficijent^[1] (ALogP)	5,0
Rastvorljivost^[2] (logS, log(mol/L))	-6,7
Polarna površina^[3] (PSA, Å²)	52,8

Reference

^ Ghose, A.K.; Viswanadhan V.N. & Wendoloski, J.J. (1998). „Prediction of Hydrophobic (Lipophilic) Properties of Small Organic Molecules Using Fragment Methods: An Analysis of AlogP and CLogP Methods”. J. Phys. Chem. A. 102: 3762—3772. doi:10.1021/jp980230o.
^ Tetko IV, Tanchuk VY, Kasheva TN, Villa AE (2001). „Estimation of Aqueous Solubility of Chemical Compounds Using E-State Indices”. Chem Inf. Comput. Sci. 41: 1488—1493. PMID 11749573. doi:10.1021/ci000392t.
^ Ertl P.; Rohde B.; Selzer P. (2000). „Fast calculation of molecular polar surface area as a sum of fragment based contributions and its application to the prediction of drug transport properties”. J. Med. Chem. 43: 3714—3717. PMID 11020286. doi:10.1021/jm000942e.

Literatura

Hardman JG, Limbird LE, Gilman AG (2001). Goodman & Gilman's The Pharmacological Basis of Therapeutics (10. изд.). New York: McGraw-Hill. ISBN 0071354697. doi:10.1036/0071422803.
Thomas L. Lemke; David A. Williams, ур. (2007). Foye's Principles of Medicinal Chemistry (6. изд.). Baltimore: Lippincott Willams & Wilkins. ISBN 0781768799.

Spoljašnje veze

Clocapramine

[1] Ghose, A.K.; Viswanadhan V.N. & Wendoloski, J.J. (1998). „Prediction of Hydrophobic (Lipophilic) Properties of Small Organic Molecules Using Fragment Methods: An Analysis of AlogP and CLogP Methods”. J. Phys. Chem. A. 102: 3762—3772. doi:10.1021/jp980230o.

[2] Tetko IV, Tanchuk VY, Kasheva TN, Villa AE (2001). „Estimation of Aqueous Solubility of Chemical Compounds Using E-State Indices”. Chem Inf. Comput. Sci. 41: 1488—1493. PMID 11749573. doi:10.1021/ci000392t.

[3] Ertl P.; Rohde B.; Selzer P. (2000). „Fast calculation of molecular polar surface area as a sum of fragment based contributions and its application to the prediction of drug transport properties”. J. Med. Chem. 43: 3714—3717. PMID 11020286. doi:10.1021/jm000942e.

[1]

[2]

[3]

p r u Antipsihotici (neuroleptici) (N05A)
Tipični	Benzamidi: Levosulpirid · Nemonaprid · Sulpirid · Sultoprid · Tiaprid · Veraliprid Butirofenoni: Azaperon · Benperidol · Bromperidol · Droperidol · Fluanizon · Haloperidol # · Lenperon · Moperon · Pipamperon · Spiperon · Timiperon · Trifluperidol Difenilbutilpiperidini: Klopimozid · Fluspirilen · Penfluridol · Pimozid Fenotiazini: Acepromazin · Acetofenazin · Butaperazin · Karfenazin · Hloracizin · Hlorproetazin · Hlorpromazin · Cijamemazin · Diksirazin · Fluacizin · Flufenazin · Levomepromazin/Metotrimeprazin · Mezoridazin · Perazin · Pericijazin · Perfenazin · Piperacetazin · Pipotiazin · Prohlorperazin · Promazin · Prometazin · Propiomazin · Sulforidazin · Tietilperazin · Tiopropazat · Tioproperazin · Tioridazin · Trifluoperazin · Triflupromazin Tioksanten: Hlorprotiksen · Klopentiksol · Flupentiksol · Tiotiksen · Zuklopentiksol Triciklici: Butaklamol · Fluotracen · Loksapin · Trimipramin Drugi: Protipendil
Atipični	Benzamidi: Amisulprid · Remoksiprid‡ Butirofenoni: Cinuperon · Melperon · Setoperon Benzo(izo)oksazol piperidini: Iloperidon · Okaperidon · Paliperidon · Rispolept # Benzo(izo)tiazol piperazini: Lurasidon · Perospiron · Revospiron · Tiospiron · Ziprasidon Difenilbutilpiperazini: Amperozid Fenilpiperazini: Aripiprazol · Bifeprunoks · Brekspiprazol^† · Elopiprazol · Umespiron Triciklici: Amoksapin · Asenapin · Karpipramin · Klocapramin · Klorotepin · Klotiapin · Klozapin # · Fluperlapin · Gevotrolin · Metitepin · Mosapramin · NDMC · Olanzapin · Pihindon · Kvetijapin · Tenilapin · Zotepin Drugi: Blonanserin · Kariprazin · Molindon · Pimavanserin · Roksindol · Sarizotan · Sertindol · Spiramid · Zikronapin^†
Drugi	Alstonin · Azaciklonol · Kanabidiol · Mazapertin^§ · Mifepriston · Oksipertin · Reserpin · Rimkazol · Sekretin · Talnetant^§ · Tetrabenazin · Vabicaserin

p r u Modulatori sigma receptora
σ₁	Agonisti: 3-PPP 4-PPBP 5-MeO-DMT Alazocin (SKF-10047) Amantadin ANAVEX2-73 Arketamin BD-737 BD-1052 Kaptodiam Citalopram CGRP Kloperastin Kokain Kutamezin (SA-4503) Ciklazocin Dehidroepiandrosteron (DHEA) (prasteron) Dehidroepiandrosteron sulfat (DHEA-S) (prasteron sulfat) Dekstralorfan Dekstrometorfan (DXM) Dekstrorfan (DXO) Dimemorfan Dimetiltriptamin (DMT) Ditolilgvanidin (DTG) Donepezil Eliprodil Escitalopram Fabomotizol (afobazol) Fluoksetin Fluvoksamin Ifenprodil Igmesin (JO-1784) IPAB Ketamin L-687384 MDMA (midomafetamin) Memantin Metamfetamin Metoksetamin Metilfenidat Nepinalon Neuropeptid Y Noskapin OPC-14523 Opipramol Pentazocin Pentoksiverin (karbetapentan) PRE-084 Pregnenolon Pregnenolon sulfat Pridopidin Racemetorfan (metorfan) Racemorfan (morfanol) UMB-23 UMB-82 Antagonisti: 3-PPP AC-927 BD-1008 BD-1031 BD-1047 BD-1060 BD-1063 BD-1067 BMY-14802 (BMS-181100) CM-156 Dup-734 E-5842 E-52862 (S1RA) Haloperidol LR-132 LR-172 MS-377 NE-100 NPC-16377 Panamesin (EMD-57455) PD-144418 Pentazocin Progesteron Rimkazol (BW-234U) Sertralin SR-31742A Alosterni modulatori: Fenitoin; Pozitivni: Metilfenilpiracetam SOMCL-668 Nepoznati/nerazvrstani: 3-Metoksidekstralorfan 3-MeO-PCP 4C-T-2 4-IBP 4-IPBS 4-MeO-PCP 5-MeO-DALT 5-MeO-DiPT Amitriptilin Azidopamil Hlorpromazin Klemastin Klomipramin Klorgilin D-Deprenil DiPT DPT Ibogain Imipramin KCR-12-83.1 Nemonaprid Noribogain RHL-033 RS-67,333 RTI-55 Šafran Safinamid Selegilin Spipetijan Trifluoperazin W-18 YKP10A
σ₂	Agonisti: 3-PPP Arketamin BD-1047 BD1063 Ditolilgvanidin (DTG) DKR-1005 DKR-1051 Haloperidol Ifenprodil Ketamin MDMA (midomafetamin) Metamfetamin OPC-14523 Opipramol PB-28 Fenciklidin Siramesin (Lu 28-179) UKH-1114 Antagonisti: AC-927 BD-1008 BD-1067 CM-156 CT-1812 LR-172 MIN-101 Panamesin (EMD-57455) SAS-0132 Nepoznati/nerazvrstani: 3-Metoksidekstralorfan 3-MeO-PCE 4-MeO-PCP 5-MeO-DALT 5-MeO-DiPT Klemastin DiPT DPT Ibogain Nemonaprid Nepinalon Noribogain Pentazocin RS-67,333 Safinamid TMA UMB-23 UMB-82 W-18
Neraz- vrstani	Agonisti: Berberin Etilketazocin Forfit Metafit Nalbufin Naluzotan Tapentadol Tenociklidin Antagonisti: AHD1 AZ66 Lamotrigin Nalokson SM-21 UMB-100 UMB-101 UMB-103 UMB-116 YZ-011 YZ-069 YZ-185 Alosterni modulatori: SKF-83959 Nepoznati/nerazvrstani: 18-Metoksikoronaridin BMY-13980 Butaklamol Karamifen Karvotrolin Hlorfenamin (hlorfeniramin) Hlorpromazin Cinarizin Cinuperon Klocapramin Dezocin EMD-59983 Hipericin (kantarion) Flufenazin Gevotrolin (WY-47384) Mepiramin (pirilamin) Molindon Perfenazin Pimozid Proadifen Prometazin Propranolol Hinidin Remoksiprid SL 82.0715 SR-31747A Tiospiron (BMY-13859) Venlafaksin

Osobine

Reference

Literatura

Spoljašnje veze

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