Worenine
- CAS No.: 38763-29-0
- Molecular Weight：334.3
- Modify Date.: 2022-11-22 19:06
- Introduction:
Worenine is isolated from Coptis chinensis. Worenine in rat shows dehydrogenization, hydrogenation, hydroxylation, and demethylene reactions in phase I metabolism. The phase II metabolism sulfation and glucuronidation reactions[1].
Worenine is an alkaloid.
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1. Names and Identifiers
- 1.1 Name
- Worenine
- 1.2 Synonyms
5,6-Dihydro-14-methyl-bis[1,3]benzodioxolo[5,6-a:5',6'-g]quinolizinium Berberine Impurity 6 Worenin Worenine
- 1.3 CAS No.
- 38763-29-0
- 1.4 CID
- 20055073
- 1.5 Molecular Formula
- C20H16NO4+ (isomer)
- 1.6 Inchi
- InChI=1S/C20H16NO4/c1-11-14-6-18-17(23-10-24-18)5-13(14)8-21-3-2-12-4-16-19(25-9-22-16)7-15(12)20(11)21/h4-8H,2-3,9-10H2,1H3/q+1
- 1.7 InChkey
- LCXREBMNASQAOC-UHFFFAOYSA-N
- 1.8 Canonical Smiles
- CC1=C2C3=CC4=C(C=C3CC[N+]2=CC5=CC6=C(C=C15)OCO6)OCO4
- 1.9 Isomers Smiles
- CC1=C2C3=CC4=C(C=C3CC[N+]2=CC5=CC6=C(C=C15)OCO6)OCO4
2. Properties
- 2.1 Boiling point
- °Cat760mmHg
- 2.1 Flash Point
- °C
- 2.1 Precise Quality
- 334.10793299
- 2.1 PSA
- 40.80000
- 2.1 logP
- -0.41
- 2.1 Color/Form
- Cryst.
3. MSDS
2.Hazard identification
2.1 Classification of the substance or mixture
no data available
2.2 GHS label elements, including precautionary statements
| Pictogram(s) | no data available |
| Signal word | no data available |
| Hazard statement(s) | no data available |
| Precautionary statement(s) | |
| Prevention | no data available |
| Response | no data available |
| Storage | no data available |
| Disposal | no data available |
2.3 Other hazards which do not result in classification
no data available
4. Other Information
- 4.0 Mesh Entry Terms
- worenine
5. Computational chemical data
- Molecular Weight: 334.3g/mol
- Molecular Formula: C20H16NO4+
- Compound Is Canonicalized: True
- XLogP3-AA: 3.9
- Exact Mass: 334.10793299
- Monoisotopic Mass: 334.10793299
- Complexity: 530
- Rotatable Bond Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Topological Polar Surface Area: 40.8
- Heavy Atom Count: 25
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count: 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Isotope Atom Count: 0
- Covalently-Bonded Unit Count: 1
- CACTVS Substructure Key Fingerprint: AAADceB6OAAAAAAAAAAAAAAAAAAAASJAAAA8eIEAAAAAAEix9AAAHgAAAAAADAzBngc+jtMMFACgAzRnRACCiCAxICAA2CAuzJgdJuLEsZukMCpkwBHO6Aew0PMOoAABAAAQQABAAAIAACCAAAAAAAAAAA==
6. Recommended Suppliers
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- Products:Specialize in fine chemicals,mainly manufacture pure botanical monomers ;
Traditional Chinese Medicine references standards;Chemical reagents
- Tel:86-28-82610909
Worenine
- Purity:99%Packing: 200kg/bag FOB
- Price: 1 USD/20mg
- Time: 2021/04/26
Inquire
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- Tel:+86-21-51320588 ext. 8025
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- Tel:86-28-87075086 028-81703128
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7. Realated Product Infomation
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