3β-[[8-[[(S)-4-[(Aminoiminomethyl)amino]-1-carboxybutyl]amino]-1,8-dioxooctyl]oxy]-14-hydroxy-5β-bufa-20,22-dienolide (CAS 35455-33-5) — formula C38H58N4O8, molecular weight 698.9; category organic chemicals.
| CAS Number | 35455-33-5 |
|---|---|
| Molecular Formula | C38H58N4O8 |
| Molecular Weight | 698.9 |
| LogP | 4.1 |
| Category | Organic Chemicals |
3β-[[8-[[(S)-4-[(Aminoiminomethyl)amino]-1-carboxybutyl]amino]-1,8-dioxooctyl]oxy]-14-hydroxy-5β-bufa-20,22-dienolide is a carbon-based organic compound with CAS registry number 35455-33-5 and molecular formula C38H58N4O8 (molecular weight 698.9), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 35455-33-5
Its molecular formula C38H58N4O8 comprises 38 C, 58 H, 4 N, 8 O atoms.
Also known as: 3β-[[8-[[(S)-4-[(Aminoiminomethyl)amino]-1-carboxybutyl]amino]-1,8-dioxooctyl]oxy]-14-hydroxy-5β-bufa-20,22-dienolide · 3β-[[8-[[(S)-4-[(氨基亚氨基甲基)氨基]-1-羧丁基]氨基]-1,8-二氧代辛基]氧基]-14-羟基-5β-bufa-20,22-二烯内酯
Category: organic chemicals
The CAS registry number of 3β-[[8-[[(S)-4-[(Aminoiminomethyl)amino]-1-carboxybutyl]amino]-1,8-dioxooctyl]oxy]-14-hydroxy-5β-bufa-20,22-dienolide is 35455-33-5.
Molecular formula C38H58N4O8, molecular weight 698.9.
It is also registered under: 3β-[[8-[[(S)-4-[(Aminoiminomethyl)amino]-1-carboxybutyl]amino]-1,8-dioxooctyl]oxy]-14-hydroxy-5β-bufa-20,22-dienolide, 3β-[[8-[[(S)-4-[(氨基亚氨基甲基)氨基]-1-羧丁基]氨基]-1,8-二氧代辛基]氧基]-14-羟基-5β-bufa-20,22-二烯内酯.
Category: Organic Chemicals.
Independent reference data for 3β-[[8-[[(S)-4-[(Aminoiminomethyl)amino]-1-carboxybutyl]amino]-1,8-dioxooctyl]oxy]-14-hydroxy-5β-bufa-20,22-dienolide (CAS 35455-33-5), compiled from public chemistry databases.
| CAS 号 | 35455-33-5 |
|---|---|
| PubChem CID | 99882 |
| 分子式 | C38H58N4O8 |
| IUPAC 名称 | (2S)-5-(diaminomethylideneamino)-2-[[8-[[(3S,5R,8R,9S,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-17-(6-oxopyran-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-8-oxooctanoyl]amino]pentanoic acid |
| Molecular Weight | 698.9 |
|---|---|
| XLogP3 | 4.1 |
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 16 |
| Exact Mass | 698.42546482 |
| Monoisotopic Mass | 698.42546482 |
| Topological Polar Surface Area | 204 |
| Heavy Atom Count | 50 |
Bufalitoxin; NSC 248524; bufalin-3-suberoyl-L-arginine; SCHEMBL29679223; 3-(N-suberoyl argininyl)bufalin
3β-[[8-[[(S)-4-[(氨基亚氨基甲基)氨基]-1-羧丁基]氨基]-1,8-二氧代辛基]氧基]-14-羟基-5β-bufa-20,22-二烯内酯 · CAS 35455-33-5 · C38H58N4O8.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 3β-[[8-[[(S)-4-[(氨基亚氨基甲基)氨基]-1-羧丁基]氨基]-1,8-二氧代辛基]氧基]-14-羟基-5β-bufa-20,22-二烯内酯