2-methyl-9-phenyl-1H,2H,3H,4H,9H-indeno[2,1-c]pyridine

• ChemBase编号: 1395
• 分子式: C19H19N
• 平均质量: 261.36086
• 单一同位素质量: 261.15174961
• SMILES: N1(CC2=C(CC1)c1c(C2c2ccccc2)cccc1)C
• Canonical SMILES: CN1CCC2=C(C1)C(c1ccccc1)c1c2cccc1
• InChI: InChI=1S/C19H19N/c1-20-12-11-16-15-9-5-6-10-17(15)19(18(16)13-20)14-7-3-2-4-8-14/h2-10,19H,11-13H2,1H3
• InChIKey: ISFHAYSTHMVOJR-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-methyl-9-phenyl-1H,2H,3H,4H,9H-indeno[2,1-c]pyridine
• IUPAC传统名: phenindamine; phenindamine tartrate
• 商标名: Nolahist; Thephorin
• 别名: 2,3,4,9-Tetrahydro-2-methyl-9-phenyl-1H-indeno[2,1-c]pyridine Hydrochloride; 1,2,3,4-Tetrahydro-2-methyl-9-phenyl-2-azafluorene Hydrochloride; 2-Methyl-9-phenyl-2,3,4,9-tetrahydro-1-pyridindene Hydrochloride; Nu 1504; Thephorin Hydrochloride; Phenindamine Hydrochloride; Fenindamina [inn-spanish]; Phenindaminum [inn-latin]; Phenindiamine; Phenindamine

登记号

• CAS号: 5503-08-2; 82-88-2
• PubChem SID: 160964855; 46508187
• PubChem CID: 11291

理论计算性质

JChem

• Acid pKa: 18.006231
• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 0.41971144
• LogD (pH = 7.4): 2.0139568
• Log P: 3.6197312
• 摩尔折射率: 85.0333 cm^3
• 极化性: 32.8276 Å^3
• 极化表面积: 3.24 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

ALOGPS 2.1

• Log P: 4.04
• LOG S: -3.97
• 溶解度: 2.77e-02 g/l

详细说明

DrugBank - DB01619

• Drug Groups: approved
• Description: Phenindamine is an antihistamine. Phenindamine blocks the effects of the naturally occurring chemical histamine in your body. Antihistamines such as phenindamine appear to compete with histamine for histamine H1- receptor sites on effector cells. The antihistamines antagonize those pharmacological effects of histamine which are mediated through activation of H1- receptor sites and thereby reduce the intensity of allergic reactions and tissue injury response involving histamine release. It is used to treat sneezing, runny nose, itching, watery eyes, hives, rashes, itching, and other symptoms of allergies and the common cold.; Symptoms of a phenindamine overdose include extreme sleepiness, confusion, weakness, ringing in the ears, blurred vision, large pupils, dry mouth, flushing, fever, shaking, insomnia, hallucinations, and possibly seizures.
• Indication: Used to treat sneezing, runny nose, itching, watery eyes, hives, rashes, itching, and other symptoms of allergies and the common cold.
• Pharmacology: Phenindamine is an antihistamine. Phenindamine blocks the effects of the naturally occurring chemical histamine in your body. Allergies are caused by an excessive type 1 hypersensitivity response of the body to allergens, mediated by inappropriate histamine signalling. By inhibiting the binding of histamine, antihistamines decrease the normal histamine response from cells, consequently decreasing allergic symptoms.
• Toxicity: Symptoms of a phenindamine overdose include extreme sleepiness, confusion, weakness, ringing in the ears, blurred vision, large pupils, dry mouth, flushing, fever, shaking, insomnia, hallucinations, and possibly seizures.
• Affected Organisms: Humans and other mammals
• External Links: Drugs.com

Toronto Research Chemicals - P297000

Antihistaminic.

参考文献

• Lehmann G., et al.: J. Pharmacol. Exp. Ther., 92, 249 (1948)
• Cooper, J., et al.: Br. J. Cancer, 39, 87 (1948)
• Matthews, E., et al.: Regul. Toxicol. Pharmacol., 28, 242 (1948)