基本情報
- CAS
86903-77-7- 標準SMILES
CCCCCCCCCCCC[N+](C)(C)CC(=O)[O-].CCCCCCCCCCCC[N+](C)(C)[O-]- InChIKey
KMCBHFNNVRCAAH-UHFFFAOYSA-N- 分子式
- C30H64N2O3
- 平均分子量
- 500.8 g/mol
- 単同位体質量
- 500.49169391
概要
C31G is a potent broad spectrum antimicrobial agent, effective against gram positive and gram negative bacteria, yeast and fungi.C31G, vaginal gel is developed by Biosyn Inc. and has commenced enrollment in a phase III pivotal clinical trial for the reduction of sexual transmission of human immunodeficiency virus (HIV).
名称と識別子
- 優先名称
- C 31G
- IUPAC
- N,N-dimethyldodecan-1-amine oxide;2-[dodecyl(dimethyl)azaniumyl]acetate
名称と別名
RefChem:122460N,N-dimethyldodecanamine oxide 2-(dodecyldimethylazaniumyl)acetate86903-77-7C 31GC-31GC31GN,N-dimethyldodecan-1-amine oxide;2-[dodecyl(dimethyl)azaniumyl]acetateSCHEMBL29495663DTXSID901007181carboxymethyl-dodecyl-dimethyl-ammonium; N,N-dimethyldodecan-1-amine oxideDB05398Q27095587
名称をさらに表示
[Dodecyl(dimethyl)azaniumyl]acetate--N,N-dimethyldodecan-1-amine N-oxide (1/1)[Dodecyldi(methyl)azaniumyl]acetate--N,N-dimethyldodecan-1-amine N-oxide (1/1)
データベース識別子
- CAS
86903-77-7- PubChem CID
- 456362
- DTXSID
DTXSID901007181
物性
構造計算による物性
- 極性表面積
- 58.2 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 3
- 回転可能結合数
- 23
- 重原子数
- 35
- 形式電荷
- 0
- 複雑度
- 367
化学と産業
薬理情報
Mechanism of Action
The range of organisms killed by C31G has been extended to include enveloped viruses. Coupled with data indicating a low toxicity for mammalian cells, and a much wider range of anti-microbial activity than Nonoxynol-9, it appears that C31G is an ideal agent for use in decreasing the risk of transmission of organisms associated with STD. C31G is developed as a topical vaginal microbicide with broad-spectrum antibacterial and antiviral properties. C31G which has a high affinity for bacteria, fungi, yeast, and viruses while exhibiting low mammalian cell toxicity.
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