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Molecule
Staurosporine
CAS: 62996-74-1 · C28H26N4O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 62996-74-1
- Molecular Formula
- C28H26N4O3
- Molecular Mass
- 466.54 g/mol
Identifiers
CAS Registry Number
62996-74-1
SMILES
CN[C@@H]1C[C@@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(O)=NC4
InChI Key
HKSZLNNOFSGOKW-WIFUGMKFSA-N
InChI
InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20+,26-,28+/m1/s1
Names and Synonyms
- Staurosporine Common Name
- 9,13-Epoxy-1H,9H-diindolo[1,2,3-gh:3′,2′,1′-lm]pyrrolo[3,4-j][1,7]benzodiazonin-1-one, 2,3,10,11,12,13-hexahydro-10-methoxy-9-methyl-11-(methylamino)-, (9S,10R,11R,13R)- Synonym
- 9,13-Epoxy-1H,9H-diindolo[1,2,3-gh:3′,2′,1′-lm]pyrrolo[3,4-j][1,7]benzodiazonin-1-one, 2,3,10,11,12,13-hexahydro-10-methoxy-9-methyl-11-(methylamino)-, [9S-(9α,10β,11β,13α)]- Synonym
- (9S,10R,11R,13R)-2,3,10,11,12,13-Hexahydro-10-methoxy-9-methyl-11-(methylamino)-9,13-epoxy-1H,9H-diindolo[1,2,3-gh:3′,2′,1′-lm]pyrrolo[3,4-j][1,7]benzodiazonin-1-one Synonym
- Antibiotic AM 2282 Synonym
- Staurosporine Synonym
- Staurosporin Synonym
- AM-2282 Synonym
- Alkaloid AM-2282 from Streptomyces Synonym
- (+)-Staurosporine Synonym
- Antibiotic 230 Synonym
- CGP 39360 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 466.54 g/mol | CAS Common Chemistry |
| 466.5410000000003 g/mol | RDKit | |
| 466.541 g/mol | RDKit | |
| Canonical SMILES | O=C1NCC=2C1=C3C4=CC=CC=C4N5C3=C6C2C=7C=CC=CC7N6C8(OC5CC(NC)C8OC)C | CAS Common Chemistry |
| InChI | InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20+,26-,28+/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=HKSZLNNOFSGOKW-WIFUGMKFSA-N | CAS Common Chemistry |
| Name | Staurosporine | CAS Common Chemistry |
| Heavy Atom Count | 35 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| 4 | RDKit | |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 5 | RDKit |
| Topological Polar Surface Area | 72.94 Ų | RDKit |
| LogP | 4.928800000000003 | RDKit |
| 4.9288 | RDKit | |
| Molar Refractivity | 137.34749999999997 cm³/mol | RDKit |
| Ring Count | 8 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3214 | RDKit |
| 0.32 | chempirical lib | |
| Exact Mass | 466.200490692 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 466.54 g/mol. Edit any field — others recompute live.
