1. Primary Information
| English name: | Ombrabulin hydrochloride |
| CAS No.: | 253426-24-3 |
| Molecular formula: | C21H27ClN2O6 |
| Molecular weight: | 438.9 g/mol |
| SMILES: | COC1=C(C=C(C=C1)C=CC2=CC(=C(C(=C2)OC)OC)OC)NC(=O)C(CO)N.Cl |
| Structural class: | |
| Other identifiers: |
AC 7700 AC-7700 AVE8062 N-(2-methxoy-5-(2-(3,4,5-trimethoxyphenyl)vinyl)pheyl)-serinamide hydrochloride ombrabulin |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 1mg | 99% | 800 | -20℃ | in stock | - |
| Kehua Intelligence | 5mg | 99% | 2240 | -20℃ | in stock | - |
| Kehua Intelligence | 10mg | 99% | 3200 | -20℃ | in stock | - |
| Kehua Intelligence | 50mg | 99% | 7840 | -20℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
Coming soon
4. International Nomenclature & Identifiers
4.1 IUPAC Name
(2S)-2-amino-3-hydroxy-N-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]propanamide;hydrochloride
4.2 InChI
InChI=1S/C21H26N2O6.ClH/c1-26-17-8-7-13(9-16(17)23-21(25)15(22)12-24)5-6-14-10-18(27-2)20(29-4)19(11-14)28-3;/h5-11,15,24H,12,22H2,1-4H3,(H,23,25);1H/b6-5-;/t15-;/m0./s1
4.3 InChIKey
UQNRTPFLTRZEIM-MRWUDIQNSA-N
4.4 Canonical SMILES
COC1=C(C=C(C=C1)C=CC2=CC(=C(C(=C2)OC)OC)OC)NC(=O)C(CO)N.Cl
4.5 Isomeric SMILES
COC1=C(C=C(C=C1)/C=C\C2=CC(=C(C(=C2)OC)OC)OC)NC(=O)[C@H](CO)N.Cl
4.6 SDF file
Coming soon
5. Spectroscopic data
5.1 13C nuclear magnetic resonance (13C NMR)
5.2 1H nuclear magnetic resonance (1H NMR)
5.3 Mass spectrometry (MS)
Coming soon
5.4 Infrared spectroscopy (IR)
Coming soon
5.5 Ultraviolet/visible spectroscopy (UV/Vis)
Coming soon
-- No 3D model data available --
