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Heterocyclic compounds

C19H17Cl2N3NaO5S

Formula C19H17Cl2N3NaO5SMolar mass 493.32 g/molEC 603-794-2
GHS signal word: Danger. Pictograms: Harmful or irritant, Serious health hazard
Get quotes Safety data
C19H17Cl2N3NaO5S chemical structure, C19H17Cl2N3NaO5S
2D chemical structure

Key facts

What buyers check first

All properties
Formula
C19H17Cl2N3NaO5S
Molar mass
493.32 g/mol
EC number
603-794-2
HS code
294110
Category
Heterocyclic compounds

What is C19H17Cl2N3NaO5S?

Plain description, key identifiers and synonyms

C19H17Cl2N3NaO5S is a chemical substance with the molecular formula C19H17Cl2N3NaO5S and a molar mass of 493.32 g/mol.

Identifiers

Registry numbers, names and line notations, tap to copy

EC number
603-794-2
Molecular formula
C19H17Cl2N3NaO5S
InChIKey
NTVMGKBZFMYQHI-SLINCCQESA-N
InChI
InChI=1S/C19H17Cl2N3O5S.Na/c1-7-10(12(23-29-7)11-8(20)5-4-6-9(11)21)15(25)22-13-16(26)24-14(18(27)28)19(2,3)30-17(13)24;/h4-6,13-14,17H,1-3H3,(H,22,25)(H,27,28);/t13-,14+,17-;/m1./s1
Canonical SMILES
Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NC1C(=O)N2C1SC(C)(C)C2C(=O)O.[Na]
Isomeric SMILES
CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)O.[Na]

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
493.32 g/molcalc.
Exact mass
492.0164 Dacalc.
LogP (octanol/water)
2.82calc.
Topological polar surface area
112.7 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
4calc.
Heavy atoms
31calc.
Rings
4calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.37calc.
Formal charge
0calc.
Stereocentres
3calc.
Components
2calc.
Lipinski rule of five
Passes (0 violations)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=C(NC1C(=O)N2CCSC12)c1conc1-c1ccccc1

O=C(NC1C(=O)N2CCSC12)c1conc1-c1ccccc1

4 rings, 22 atoms.

48 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

  • H315Causes skin irritation.
  • H317May cause an allergic skin reaction.
  • H319Causes serious eye irritation.
  • H334May cause allergy or asthma symptoms or breathing difficulties if inhaled.
  • H335May cause respiratory irritation.
Precautionary statements (23)
  • P233Keep container tightly closed.
  • P260Do not breathe dust, fume, gas, mist, vapours or spray.
  • P261Avoid breathing dust, fume, gas, mist, vapours or spray.
  • P264Wash skin thoroughly after handling.
  • P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
  • 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.
  • P284In case of inadequate ventilation wear respiratory protection.
  • 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.
  • P319Get medical help if you feel unwell.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • 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.
  • P342 + P316If experiencing respiratory symptoms: Get emergency medical help immediately.
  • P362 + P364Take off contaminated clothing. And wash it before reuse.
  • P403Store in a well-ventilated place.
  • 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

C19H17Cl2N3NaO5S suppliers

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C19H17Cl2N3NaO5S 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

Applications are not documented for this substance yet. Suppliers often describe uses on their product pages, linked in the suppliers list above.

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 C19H17Cl2N3NaO5S is traded under.

HS 2941.10Indicative HS code

Penicillins and their derivatives with a penicillanic acid structure, salts thereof

World exports in 2024
$1.66B
−2.5% vs 2023, imports $1.63B
2019 to 2024
Top exporters
  1. China56.8%
  2. Spain13.1%
  3. India * partner reported7.7%
Top importers
  1. India * partner reported16.4%
  2. Austria9.3%
  3. Brazil5.4%

* Partner reported figures, a lower bound.

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

The HS code shown for C19H17Cl2N3NaO5S is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about C19H17Cl2N3NaO5S, based on the data on this page

What is C19H17Cl2N3NaO5S?

C19H17Cl2N3NaO5S is a chemical substance with the molecular formula C19H17Cl2N3NaO5S and a molar mass of 493.32 g/mol.

What is the molecular formula and weight of C19H17Cl2N3NaO5S?

The molecular formula of C19H17Cl2N3NaO5S is C19H17Cl2N3NaO5S and its molar mass is 493.32 g/mol.

Is C19H17Cl2N3NaO5S hazardous?

C19H17Cl2N3NaO5S carries the GHS signal word "Danger". Main hazards: causes skin irritation, may cause an allergic skin reaction, causes serious eye irritation. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of C19H17Cl2N3NaO5S?

C19H17Cl2N3NaO5S is usually classified under HS code 294110 (Penicillins and their derivatives with a penicillanic acid structure, salts thereof). This is indicative, confirm it with your customs broker before shipping.

Where can I buy C19H17Cl2N3NaO5S?

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What is the price of C19H17Cl2N3NaO5S?

Suppliers quote C19H17Cl2N3NaO5S on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle C19H17Cl2N3NaO5S

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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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