Cas 86271-83-2,(2Z,4S,4aR,5S,5aR,6R,12aS)-2-[amino(hydroxy)methylidene]-5,10,11,12a-tetrahydroxy-6-methyl-4-(methylamino)-4a,5a,6,12a-tetrahydrotetracene-1,3,12(2H,4H,5H)-trione

86271-83-2

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Basic information

Product Name: (2Z,4S,4aR,5S,5aR,6R,12aS)-2-[amino(hydroxy)methylidene]-5,10,11,12a-tetrahydroxy-6-methyl-4-(methylamino)-4a,5a,6,12a-tetrahydrotetracene-1,3,12(2H,4H,5H)-trione
Synonyms: N Desmethyl Doxycycline (Crude);Doxycycline Impurity 7(N-Desmethyl Doxycycline);2-Naphthacenecarboxamide, 1,4,4a,5,5a,6,11,12a-octahydro-3,5,10,12,12a-pentahydroxy-6-methyl-4-(methylamino)-1,11-dioxo-, (4S,4aR,5S,5aR,6R,12aS)-
CAS NO:86271-83-2
Molecular Formula: C₂₁H₂₂N₂O₈
Molecular Weight: 430.408
EINECS: N/A
Product Categories: N/A

Chemical Properties

Melting Point: N/A
Boiling Point: 693.8°C at 760 mmHg
Flash Point: 373.4°C
Appearance: N/A
Density: 1.68g/cm³
Vapor Pressure: 3.32E-20mmHg at 25°C
Refractive Index: 1.748
Storage Temp.: N/A
Solubility: N/A
CAS DataBase Reference: (2Z,4S,4aR,5S,5aR,6R,12aS)-2-[amino(hydroxy)methylidene]-5,10,11,12a-tetrahydroxy-6-methyl-4-(methylamino)-4a,5a,6,12a-tetrahydrotetracene-1,3,12(2H,4H,5H)-trione(CAS DataBase Reference)
NIST Chemistry Reference: (2Z,4S,4aR,5S,5aR,6R,12aS)-2-[amino(hydroxy)methylidene]-5,10,11,12a-tetrahydroxy-6-methyl-4-(methylamino)-4a,5a,6,12a-tetrahydrotetracene-1,3,12(2H,4H,5H)-trione(86271-83-2)
EPA Substance Registry System: (2Z,4S,4aR,5S,5aR,6R,12aS)-2-[amino(hydroxy)methylidene]-5,10,11,12a-tetrahydroxy-6-methyl-4-(methylamino)-4a,5a,6,12a-tetrahydrotetracene-1,3,12(2H,4H,5H)-trione(86271-83-2)

Safety Data

Hazard Codes: N/A
Statements: N/A
Safety Statements: N/A
WGK Germany:
RTECS:
HazardClass: N/A
PackingGroup: N/A
Hazardous Substances Data: 86271-83-2(Hazardous Substances Data)

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86271-83-2 Usage

Uses

N-Desmethyl Doxycycline is a metabolite of Doxycycline (D561500); an antibacterial agent.

Check Digit Verification of cas no

The CAS Registry Mumber 86271-83-2 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 8,6,2,7 and 1 respectively; the second part has 2 digits, 8 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 86271-83:
(7*8)+(6*6)+(5*2)+(4*7)+(3*1)+(2*8)+(1*3)=152
152 % 10 = 2
So 86271-83-2 is a valid CAS Registry Number.

86271-83-2Upstream product

10592-13-9 doxycycline hydrochloride

86271-83-2Downstream Products

86271-83-2Relevant academic research and scientific papers

Synthesis of a doxycycline-[13CD3] standard

Bupp, James E.,Tanga, Mary J.

, p. 291 - 293 (2016)

A stable isotope labelled mass spectrometry internal standard of the antibiotic doxycycline was prepared to assist in pharmacokinetic analyses. Our approach was to first N-demethylate doxycycline using a non-classical Polonovski reaction and then re-methylate using methyl-[13CD3] iodide, which gave doxycycline-[13CD3] with an isotopic purity of 99%.

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