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Basic information
- CAS
87578-98-1- Standard SMILES
COC1=C(C)C(=O)C2=C(C1=O)[C@H](CNC(=O)[C@H](C)N)N1C[C@H]3Cc4cc(C)c(OC)c(O)c4[C@@H]([C@@H]1C2)N3C- InChIKey
AZDDAJXLYMVMAW-BVFBRMCBSA-N- Molecular formula
- C28H36N4O6
- Average molar mass
- 524.618 g/mol
- Monoisotopic mass
- 524.26348487
Names & identifiers
- Preferred name
- 2-Amino-N-[(1-hydroxy-2,11-dimethoxy-3,12,16-trimethyl-10,13-dioxo-6,7,9,10,13,14,14a,15-octahydro-5H-6,15-epiminoisoquinolino[3,2-b][3]benzazocin-9-yl)methyl]propanimidic acid
- IUPAC
- (2S)-2-Amino-N-{[(6R,9R,14aS,15S)-1-hydroxy-2,11-dimethoxy-3,12,16-trimethyl-10,13-dioxo-6,7,9,10,13,14,14a,15-octahydro-5H-6,15-epiminoisoquinolino[3,2-b][3]benzazocin-9-yl]methyl}propanimidic acid
- English name
- safracin A
- Molecular formula
- C28H36N4O6
- Molecular weight
- 524.61
Names & synonyms
Y-16760safracin APubChem ID: 1602932-Amino-N-[(6,7,9,10,13,14,14a,15-octahydro-1-hydroxy-2,11-dimethoxy-3,12,16-trimethyl-10,13-dioxo-6,15-epimino-5H-isoquino[3,2-b][3]benzazocin-9-yl)methyl]propionamide
Database identifiers
- CAS
87578-98-1- PubChem CID
- 160293
- DTXSID
DTXSID201007661- ChEBI
CHEBI:220091
Properties
Physicochemical properties
- Boiling point
- 719.074 · 719.074±60.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.366 · 1.366±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 9.853 · 9.853±0.70(predicted)
- FDA UNII
- 22 W88942A5 · 22W88942A5
Chemistry & industry
Applications
UsesSafracin A has anti-Gram-positive bacteria, Gram-negative bacteria and anti-tumor effect[1].
Suppliers2 total
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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