Tìm theo
Clocapramine
Các tên gọi khác (3) :
  • Clocapramine
  • Clocapramine hcl
  • Y-4153 [as hydrochloride]
Thuốc Gốc
Small Molecule
CAS: 47739-98-0
CTHH: C28H37ClN4O
PTK: 481.073
Clocapramine is an atypical antipsychotic of the imidobenzyl class which was introduced in Japan in 1974 for the treatment of schizophrenia. In addition to psychosis, clocapramine has also been used to augment antidepressants in the treatment of anxiety and panic. Clocapramine has been implicated in at least one strange death, including a suicide.
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C28H37ClN4O
Phân tử khối
481.073
Monoisotopic mass
480.265589533
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)
InChI Key
InChIKey=QAZKXHSIKKNOHH-UHFFFAOYSA-N
IUPAC Name
1-(3-{14-chloro-2-azatricyclo[9.4.0.0³,⁸]pentadeca-1(11),3,5,7,12,14-hexaen-2-yl}propyl)-4-(piperidin-1-yl)piperidine-4-carboximidic acid
Traditional IUPAC Name
1-(3-{14-chloro-2-azatricyclo[9.4.0.0³,⁸]pentadeca-1(11),3,5,7,12,14-hexaen-2-yl}propyl)-4-(piperidin-1-yl)piperidine-4-carboximidic acid
SMILES
OC(=N)C1(CCN(CCCN2C3=CC=CC=C3CCC3=C2C=C(Cl)C=C3)CC1)N1CCCCC1
Độ tan chảy
181-183
Độ hòa tan
5.50e-03 g/l
logP
2.82
logS
-4.9
pKa (strongest acidic)
3.06
pKa (Strongest Basic)
9.47
PSA
53.8 Å2
Refractivity
151.89 m3·mol-1
Polarizability
55.32 Å3
Rotatable Bond Count
6
H Bond Acceptor Count
5
H Bond Donor Count
2
Physiological Charge
1
Number of Rings
5
Bioavailability
1
Rule of Five
true
MDDR-Like Rule
true
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB09003
KEGG Drug
http://www.genome.jp/dbget-bin/www_bget?drug:D07718
Wikipedia
http://en.wikipedia.org/wiki/Clocapramine
Drugs.com
http://www.drugs.com/international/clocapramine.html
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