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Antibiotics and anti-infectives

Invertin

Also known as Doxycycline monohydrate, Doxycycline hydrate, Oracea

CAS 17086-28-1Formula C22H26N2O9Molar mass 462.46 g/molEC 605-591-4
GHS signal word: Danger. Pictograms: Harmful or irritant, Serious health hazard 71 suppliers listed
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Invertin chemical structure, C22H26N2O9, CAS 17086-28-1
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
17086-28-1
Formula
C22H26N2O9
Molar mass
462.46 g/mol
EC number
605-591-4
HS code
294130
Category
Antibiotics and anti-infectives

What is Invertin?

Plain description, key identifiers and synonyms

Doxycycline monohydrate is the monohydrate form of doxycycline. A semi-synthetic tetracycline antibiotic, it is used to inhibit bacterial protein synthesis and treat non-gonococcal urethritis and cervicitis, exacerbations of bronchitis in patients with chronic obstructive pulmonary disease (COPD), and adult periodontitis. It has a role as an antibacterial drug. It contains a doxycycline.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(4S,4aR,5S,5aR,6R,12aR)-4-(dimethylamino)-1,5,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide, hydrate
CAS number
17086-28-1Other or deprecated CAS: 220680-46-6
EC number
605-591-4
Molecular formula
C22H26N2O9
UNII
N12000U13O
MDL number
MFCD02682958
InChIKey
FZKWRPSUNUOXKJ-CVHRZJFOSA-N
InChI
InChI=1S/C22H24N2O8.H2O/c1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14,32)19(12)29;/h4-7,10,14-15,17,25-27,30,32H,1-3H3,(H2,23,31);1H2/t7-,10+,14+,15-,17-,22-;/m0./s1
Canonical SMILES
CC1c2cccc(O)c2C(O)=C2C(=O)C3(O)C(O)=C(C(N)=O)C(=O)C(N(C)C)C3C(O)C21.O
Isomeric SMILES
C[C@@H]1[C@H]2[C@@H]([C@H]3[C@@H](C(=O)C(=C([C@]3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O.O

Synonyms

  • Doxycycline monohydrate
  • Doxycycline hydrate
  • Oracea
  • Adoxa
  • Monodox
  • Doxycycline Hydrate (>90%)
  • Supracyclin
  • Doxirobe
  • Doxylin
  • Xyrosa
  • (4S,4aR,5S,5aR,6R,12aS)-4-(dimethylamino)-3,5,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide hydrate
  • Doxycycline (monohydrate)
  • Vibramycin
  • (4S,4aR,5S,5aR,6R,12aR)-4-(dimethylamino)-1,5,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide, hydrate
  • Doxiciclina
  • Vibramycine
  • Doxychel
  • Vibramycin (TN)
  • 4-(Dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-2-naphthacenecarboxamide monohydrate
  • Adoxa pak
  • Vibramycin-D
  • (4S,4aR,5S,5aR,6R,12aS)-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-2-Naphthacenecarboxamide hydrate
  • Doxycycline (USP)
  • Monodox (TN)
  • Oracea (TN)
Show all 29 synonyms
  • doxycyclin monohydrate
  • Doxycycline monohydrate (internal use)
  • Doxycycline
  • col-101

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
462.46 g/molcalc.
Exact mass
462.1638 Dacalc.
LogP (octanol/water)
-1.33calc.
Topological polar surface area
213.1 Ųcalc.
Hydrogen bond donors
6calc.
Hydrogen bond acceptors
9calc.
Rotatable bonds
2calc.
Heavy atoms
33calc.
Rings
4calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.41calc.
Formal charge
0calc.
Stereocentres
6calc.
Components
2calc.
Lipinski rule of five
Passes (1 violation)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, O=C1C=CC2C(=O)C3=Cc4ccccc4CC3CC2C1

O=C1C=CC2C(=O)C3=Cc4ccccc4CC3CC2C1

4 rings, 20 atoms.

278 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Danger
GHS07: Harmful or irritant
Harmful or irritant
GHS08: Serious health hazard
Serious health hazard

Hazard statements

  • H302Harmful if swallowed.
  • H315Causes skin irritation.
  • H317May cause an allergic skin reaction.
  • H319Causes serious eye irritation.
  • H335May cause respiratory irritation.
  • H360May damage fertility or the unborn child.
Precautionary statements (23)
  • P203Obtain, read and follow all safety instructions before use.
  • P261Avoid breathing dust, fume, gas, mist, vapours or spray.
  • P264Wash skin thoroughly after handling.
  • P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
  • P270Do not eat, drink or smoke when using this product.
  • P271Use only outdoors or in a well-ventilated area.
  • P272Contaminated work clothing should not be allowed out of the workplace.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P301 + P317If swallowed: Get medical help.
  • P302 + P352If on skin: Wash with plenty of water.
  • P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
  • P305 + P351 + P338If in eyes: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
  • P318If exposed or concerned, get medical advice.
  • P319Get medical help if you feel unwell.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P330Rinse mouth.
  • P332 + P317If skin irritation occurs: Get medical help.
  • P333 + P317If skin irritation or rash occurs: Get medical help.
  • P337 + P317If eye irritation persists: Get medical help.
  • P362 + P364Take off contaminated clothing. And wash it before reuse.
  • P403 + P233Store in a well-ventilated place. Keep container tightly closed.
  • P405Store locked up.
  • P501Dispose of contents and container in accordance with local regulations.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Full safety data and first aid

Invertin suppliers

Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings

All 71 suppliers
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Where suppliers are based

71 suppliers in 13 countries

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Invertin price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Roles

  • antibacterial agent
  • antibacterial drug
  • antiinfective agent
  • antimicrobial agent
  • antimicrobial drug
  • pharmaceutical

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Invertin is traded under.

HS 2941.30Indicative HS code

Tetracyclines and their derivatives, salts thereof

World exports in 2024
$565M
+0.2% vs 2023, imports $539M
2019 to 2024
Top exporters
  1. China66.0%
  2. Italy10.7%
  3. Portugal7.2%
Top importers
  1. United States11.6%
  2. India * partner reported8.9%
  3. Italy7.7%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Invertin is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Invertin, based on the data on this page

What is Invertin?

Doxycycline monohydrate is the monohydrate form of doxycycline. A semi-synthetic tetracycline antibiotic, it is used to inhibit bacterial protein synthesis and treat non-gonococcal urethritis and cervicitis, exacerbations of bronchitis in patients with chronic obstructive pulmonary disease (COPD), and adult periodonti…

Is Invertin hazardous?

Invertin carries the GHS signal word "Danger". Main hazards: harmful if swallowed, causes skin irritation, may cause an allergic skin reaction. This summary is not an SDS, always read the supplier safety data sheet.

Guides for buyers

Practical guides that help when you source, ship or handle Invertin

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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