Brucine sulfate heptahydrate

• Catalog Number: ACM60583393
• Product Name: Brucine sulfate heptahydrate
• CAS: 60583-39-3
• Category: Heterocyclic Organic Compound
• Synonyms: Brucine sulfate
• IUPAC Name: (4aR,5aS,8aR,13aS,15aS,15bR)-10,11-Dimethoxy-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one;sulfuric acid;heptahydrate
• Molecular Weight: 1013.11
• Molecular Formula: C46H68N4O19S
• Canonical SMILES: COC1=C(C=C2C(=C1)C34CCN5C3CC6C7C4N2C(=O)CC7OCC=C6C5)OC.COC1=C(C=C2C(=C1)C34CCN5C3CC6C7C4N2C(=O)CC7OCC=C6C5)OC.O.O.O.O.O.O.O.OS(=O)(=O)O
• InChI: InChI=1S/2C23H26N2O4.H₂O4S.7H₂O/c2*1-27-16-8-14-15(9-17(16)28-2)25-20(26)10-18-21-13-7-19-23(14,22(21)25)4-5-24(19)11-12(13)3-6-29-18;1-5(2,3)4;;;;;;;/h2*3,8-9,13,18-19,21-22H,4-7,10-11H2,1-2H3;(H2,1,2,3,4);7*1H2/t2*13-,18-,19-,21-,22-,23+;;;;;;;;/m00......../s1
• InChI Key: PPJIVFYMRNHHTJ-JYGVWXPPSA-N
• Boiling Point: 633.7ºC at 760 mmHg
• Melting Point: 180 °C
• Flash Point: 337.1 °C
• Solubility: Soluble in hot water
• Appearance: Off-white crystalline powder
• Complexity: 866
• Covalently-Bonded Unit Count: 10
• Defined Atom Stereocenter Count: 12
• Exact Mass: 1012.41984713
• Heavy Atom Count: 70
• Hydrogen Bond Acceptor Count: 21
• Hydrogen Bond Donor Count: 9
• Isomeric SMILES: COC1=C(C=C2C(=C1)[C@]34CCN5[C@H]3C[C@@H]6[C@@H]7[C@@H]4N2C(=O)C[C@@H]7OCC=C6C5)OC.COC1=C(C=C2C(=C1)[C@]34CCN5[C@H]3C[C@@H]6[C@@H]7[C@@H]4N2C(=O)C[C@@H]7OCC=C6C5)OC.O.O.O.O.O.O.O.OS(=O)(=O)O
• Monoisotopic Mass: 1012.41984713
• Physical State: Solid
• Rotatable Bond Count: 4
• Safety Description: S13-S45-S61
• Topological Polar Surface Area: 193 Ų

Custom Q&A

What is the product name of CAS number 60583-39-3?

The product name is Brucine sulfate heptahydrate.

What are some synonyms for Brucine sulfate heptahydrate?

Some synonyms include 10,11-Dimethoxystrychnine sulfate heptahydrate.

What is the IUPAC name for Brucine sulfate heptahydrate?

The IUPAC name is Brucine Sulfate Heptahydrate, Acs.

What is the molecular weight of Brucine sulfate heptahydrate?

The molecular weight is 1013.11.

What is the molecular formula of Brucine sulfate heptahydrate?

The molecular formula is C46H68N4O19S.

What is the melting point of Brucine sulfate heptahydrate?

The melting point is 180°C.

What is the purity percentage of Brucine sulfate heptahydrate?

The purity is listed as 98%+.

What is the appearance of Brucine sulfate heptahydrate?

The appearance is a white to off-white crystalline powder.

What are the typical applications of Brucine sulfate heptahydrate?

It is used for skin conditioning.

What is the physical state of Brucine sulfate heptahydrate?

It is in the form of a solid.