(5aR,6S,8R,9S,10R,11R,11As,12Ar,13R)-9-Ethyl-5-Methyl-5A,6,8,9,10,11,11A,12-Octahydro-5H-6,10:11,12A-Dimethanoindolo[3,2-B]Quinolizine-8,13-Diol (5aR,6S,8R,9S,10R,11R,11aS,12aR,13R)-9-乙基-5-甲基-5a,6,8,9,10,11,11a,12-八氢-5H-6,10:11,12a-二甲桥吲哚并[3,2-b]喹啉-8,13-二醇
CAS 4360-12-7 MFCD00135652
化学结构图
SMILES: CC[C@H]1[C@@H]2C[C@H]3[C@@H]4N(C)c5ccccc5[C@]45C[C@@H]([C@@H]2[C@H]5O)N3[C@@H]1O
化学属性
| Mol. Formula | C20 H26 N2 O2 |
|---|---|
| Mol. Weight | 326.43 |
别名和识别编码
| Chemical Name | (5aR,6S,8R,9S,10R,11R,11As,12Ar,13R)-9-Ethyl-5-Methyl-5A,6,8,9,10,11,11A,12-Octahydro-5H-6,10:11,12A-Dimethanoindolo[3,2-B]Quinolizine-8,13-Diol |
|---|---|
| CAS Number | 4360-12-7 |
| Synonym | (+)-Ajmaline (17R,21?-Ajmalan-17,21-diol Ajmalan-17,21-diol, (17R,21-alpha)- Ajmalin Ajmaline {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { |
| MDL Number | MFCD00135652 |
| EC Number | 224-439-4 |
| Chemical Name Translation | (5aR,6S,8R,9S,10R,11R,11aS,12aR,13R)-9-乙基-5-甲基-5a,6,8,9,10,11,11a,12-八氢-5H-6,10:11,12a-二甲桥吲哚并[3,2-b]喹啉-8,13-二醇 |
| Wiswesser Line Notation | T5 F6 E56 B6 B6/CR/NS A 5BBCEO S EX LN ONT&TTTTJ DQL1 PQ Q2 |
| PubChem Substance ID | 6100671 |
| InChI | InChI=1S/C20H26N2O2/c1-3-10-11-8-14-17-20(12-6-4-5-7-13(12)21(17)2)9-15(16(11)18(20)23)22(14)19(10)24/h4-7,10-11,14-19,23-24H,3,8-9H2,1-2H3/t10-,11-,14-,15-,16-,17-,18+,19+,20+/m0/s1 |
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分类
- Pharmaceuticals
- Intermediates & Fine Chemicals
产品应用
- An antiarrhythmic agent isolated from Rauwolfia serpentina.
相关文献及参考
- Galarreta, B., et al.: Bioorg. Med. Chem., 16, 6689 (2008),
- Sun, L., et al.: Plant Mol. Biol., 67, 455 (2008),
- Ruiz-May, E., et al.: Mol. Biotechnol., 41, 278 (2009),
安全信息
GHS Symbol
- P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
- H332 Harmful if inhaled 吸入有害
- H302 Harmful if swallowed 吞食有害
- H312 Harmful in contact with skin 皮肤接触有害
TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 360 mg/kg TOXIC EFFECTS : Behavioral - altered sleep time (including change in righting reflex) Behavioral - convulsions or effect on seizure threshold Behavioral - ataxia REFERENCE : PHARAT Pharmazie. (VEB Verlag Volk und Gesundheit, Neue Gruenstr. 18, Berlin DDR-1020, Ger. Dem. Rep.) V.1- 1946- Volume(issue)/page/year: 31,39,1976
TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 75 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: AD691-490
TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE
TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Bird - wild bird species DOSE/DURATION : 178 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : AECTCV Archives of Environmental Contamination and Toxicology. (Springer-Verlag New York, Inc., Service Center, 44 Hartz Way, Secaucus, NJ 070944) V.1- 1973- Volume(issue)/page/year: 12,355,1983
TYPE OF TEST : LDLo - Lowest published lethal dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Bird - quail DOSE/DURATION : 316 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : EESADV Ecotoxicology and Environmental Safety. (Academic Press, Inc., 1 E.
