N-(1,3,4,6,7,12b-hexahydro-2H-benzo(b)furo(2,3-a)quinolizin-2-yl)-N-methyl-2-hydroxyethanesulfonamide (CAS 98612-56-7) — formula C46H67N9O9S2, molecular weight 954.2; category organic chemicals.
| CAS Number | 98612-56-7 |
|---|---|
| Molecular Formula | C46H67N9O9S2 |
| Molecular Weight | 954.2 |
| LogP | 2.1 |
| Category | Organic Chemicals |
N-(1,3,4,6,7,12b-hexahydro-2H-benzo(b)furo(2,3-a)quinolizin-2-yl)-N-methyl-2-hydroxyethanesulfonamide is a carbon-based organic compound with CAS registry number 98612-56-7 and molecular formula C46H67N9O9S2 (molecular weight 954.2), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 98612-56-7
Its molecular formula C46H67N9O9S2 comprises 46 C, 67 H, 9 N, 9 O, 2 S atoms.
Also known as: N-(1,3,4,6,7,12b-hexahydro-2H-benzo(b)furo(2,3-a)quinolizin-2-yl)-N-methyl-2-hydroxyethanesulfonamide · 化合物 L 654284
Category: organic chemicals
The CAS registry number of N-(1,3,4,6,7,12b-hexahydro-2H-benzo(b)furo(2,3-a)quinolizin-2-yl)-N-methyl-2-hydroxyethanesulfonamide is 98612-56-7.
Molecular formula C46H67N9O9S2, molecular weight 954.2.
It is also registered under: N-(1,3,4,6,7,12b-hexahydro-2H-benzo(b)furo(2,3-a)quinolizin-2-yl)-N-methyl-2-hydroxyethanesulfonamide, 化合物 L 654284.
Category: Organic Chemicals.
Independent reference data for N-(1,3,4,6,7,12b-hexahydro-2H-benzo(b)furo(2,3-a)quinolizin-2-yl)-N-methyl-2-hydroxyethanesulfonamide (CAS 98612-56-7), compiled from public chemistry databases.
| CAS 号 | 98612-56-7 |
|---|---|
| PubChem CID | 196343 |
| 分子式 | C46H67N9O9S2 |
| IUPAC 名称 | (2S)-N-[(2R)-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-1-oxo-3-sulfanylidenepropan-2-yl]-2-[[(2S)-2-[[(2S)-2-[[(2R)-3-(4-ethoxyphenyl)-2-[[2-(1-sulfanylcyclohexyl)acetyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]butanediamide |
| Molecular Weight | 954.2 |
|---|---|
| XLogP3 | 2.1 |
| Hydrogen Bond Donor Count | 10 |
| Hydrogen Bond Acceptor Count | 12 |
| Rotatable Bond Count | 28 |
| Exact Mass | 953.45031710 |
| Monoisotopic Mass | 953.45031710 |
| Topological Polar Surface Area | 329 |
| Heavy Atom Count | 66 |
98612-56-7; L 654284; L-654,284; RefChem:924320; Hbfqmh; PDSP1_001654; PDSP2_001638; 2-Hydroxy-N-methyl-N-(4-oxa-11-azatetracyclo[11.4.0.01,5.06,11]heptadeca-5,9,12-trien-3-yl)ethanesulfonamide; Ethanesulfonamide, N-(1,3,4,6,7,12b-hexahydro-2H-benzo(b)furo(2,3-a)quinolizin-2-yl)-N-methyl-2-hydroxy-; N-(1,3,4,6,7,12b-Hexahydro-2H-benzo(b)furo(2,3-a)quinolizin-2-yl)-N-methyl-2-hydroxyethanesulfonamide
化合物 L 654284 · CAS 98612-56-7 · C46H67N9O9S2.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 化合物 L 654284