Ibogamine-18-carboxylic acid, 14-((3alpha)-17-methoxy-17-oxovobasan-3- yl)-, methyl ester (CAS 80981-95-9) — formula C42H50N4O4, molecular weight 674.9; category organic chemicals.
| CAS Number | 80981-95-9 |
|---|---|
| Molecular Formula | C42H50N4O4 |
| Molecular Weight | 674.9 |
| LogP | 6.1 |
| Category | Organic Chemicals |
Ibogamine-18-carboxylic acid, 14-((3alpha)-17-methoxy-17-oxovobasan-3- yl)-, methyl ester is a carbon-based organic compound with CAS registry number 80981-95-9 and molecular formula C42H50N4O4 (molecular weight 674.9), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 80981-95-9
Its molecular formula C42H50N4O4 comprises 42 C, 50 H, 4 N, 4 O atoms.
Also known as: Ibogamine-18-carboxylic acid, 14-((3alpha)-17-methoxy-17-oxovobasan-3- yl)-, methyl ester · 伊波胺-18-羧酸，14-((3α)-17-甲氧基-17-oxovobasan-3-基)-甲酯
Category: organic chemicals
The CAS registry number of Ibogamine-18-carboxylic acid, 14-((3alpha)-17-methoxy-17-oxovobasan-3- yl)-, methyl ester is 80981-95-9.
Molecular formula C42H50N4O4, molecular weight 674.9.
It is also registered under: Ibogamine-18-carboxylic acid, 14-((3alpha)-17-methoxy-17-oxovobasan-3- yl)-, methyl ester, 伊波胺-18-羧酸，14-((3α)-17-甲氧基-17-oxovobasan-3-基)-甲酯.
Category: Organic Chemicals.
Independent reference data for Ibogamine-18-carboxylic acid, 14-((3alpha)-17-methoxy-17-oxovobasan-3- yl)-, methyl ester (CAS 80981-95-9), compiled from public chemistry databases.
| CAS 号 | 80981-95-9 |
|---|---|
| PubChem CID | 6440675 |
| 分子式 | C42H50N4O4 |
| IUPAC 名称 | methyl 17-ethyl-5-[(15E)-15-ethylidene-18-methoxycarbonyl-17-methyl-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraen-12-yl]-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate |
| Molecular Weight | 674.9 |
|---|---|
| XLogP3 | 6.1 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 6 |
| Exact Mass | 674.38320609 |
| Monoisotopic Mass | 674.38320609 |
| Topological Polar Surface Area | 90.7 |
| Heavy Atom Count | 50 |
伊波胺-18-羧酸，14-((3α)-17-甲氧基-17-oxovobasan-3-基)-甲酯 · CAS 80981-95-9 · C42H50N4O4.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.