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Home> Encyclopedia >   /  Herbal Extract  /  Pharmaceutical Intermediates  /  Pharmaceutical  /  Other Chemicals  /  Organic Intermediate
Ammothamnine structure
Ammothamnine structure

Ammothamnine

CAS No.:16837-52-8
Molecular Weight:264.36300
Introduction: antifungal, hepatoprotectant AmmothamnineSupplier
1. Names and Identifiers
1.1 Name
Ammothamnine
1.2 Synonyms

(4R,7aS,13aR,13bR,13cS)-dodecahydro-4-oxide-1H,5H,10H-dipyrido[2,1-f:3',2',1'-ij][1,6]naphthyridin-10-one 1H,5H,10H-Dipyrido[2,1-f:3',2',1'-ij][1,6]naphthyridin-10-one, dodecahydro-, 4-oxide, (4R,7aS,13aR,13bR,13cS)- 1-oxide,(1-beta)-matridin-15-on Ammothamnine Oxymatrine matrine,1-oxide Oxymatrine 16837-52-8 Oxymatrine, 98%, from Sophora flavescens Aiton

1.3 CAS No.
16837-52-8
1.4 CID
114850
1.5 EINECS(EC#)
605-514-4
1.6 Molecular Formula
C15H24N2O2 (isomer)
1.7 Inchi
InChI=1S/C15H24N2O2/c18-14-7-1-6-13-12-5-3-9-17(19)8-2-4-11(15(12)17)10-16(13)14/h11-13,15H,1-10H2/t11-,12+,13+,15-,17?/m0/s1
1.8 InChkey
XVPBINOPNYFXID-LHDUFFHYSA-N
1.9 Canonical Smiles
C1CC2C3CCC[N+]4(C3C(CCC4)CN2C(=O)C1)[O-]
1.10 Isomers Smiles
C1C[C@@H]2[C@H]3CCC[N+]4([C@H]3[C@@H](CCC4)CN2C(=O)C1)[O-]
2. Properties
3.1 Density
1.399g/cm3
3.2 Melting Point
208℃
3.3 Boiling Point
°Cat760mmHg
3.4 Vapour
0mmHg at 25°C
3.5 Refractive Index
1.637
3.6 Flash Point
°C
3.7 Appearance
white to off-white
3.8 Color/Form
white to off-white
3.9 pKa
4.87±0.20(Predicted)
3.10 Solubility
methanol: soluble10mg/mL, clear, colorless
3.11 Water Solubility
Transport Information: OTH
Hazard Symbols:UN NO.
particular:particular
3. Use and Manufacturing
4.1 Storage
Ambient temperatures.
4.2 Usage
antifungal, hepatoprotectant AmmothamnineSupplier
4. Safety and Handling
5.1 Hazard Codes
Xn
5.2 Risk Statements
22-20/22
5.3 Safety Statements
24/25
5.4 Transport
OTH
5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H302 Harmful if swallowed

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P270 Do not eat, drink or smoke when using this product.

Response

P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell.

P330 Rinse mouth.

Storage

none

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

8. Precursor and Product
precursor:
519-02-8
519-02-8
9. Computational chemical data
  • Molecular Weight:264.36300g/mol
  • Molecular Formula:C15H24N2O2
  • Compound Is Canonicalized:True
  • XLogP3-AA:1
  • Exact Mass:264.183778013
  • Monoisotopic Mass:264.183778013
  • Complexity:400
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:38.4
  • Heavy Atom Count:19
  • Defined Atom Stereocenter Count:4
  • Undefined Atom Stereocenter Count:1
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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  • Purity:99%Packing: 200kg/bag FOB
  • Price: 1 USD/Kilogram
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