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Screening compounds

Crysticillin

Also known as Duracillin, Bactracillin G, Penicillin G procaine

CAS 6130-64-9Formula C29H40N4O7SMolar mass 588.73 g/molEC 612-112-2
GHS signal word: Danger. Pictograms: Harmful or irritant, Serious health hazard 14 suppliers listed
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Crysticillin chemical structure, C29H40N4O7S, CAS 6130-64-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
6130-64-9
Formula
C29H40N4O7S
Molar mass
588.73 g/mol
EC number
612-112-2
HS code
294110
Category
Screening compounds

What is Crysticillin?

Plain description, key identifiers and synonyms

Crysticillin is a chemical substance with the molecular formula C29H40N4O7S and a molar mass of 588.73 g/mol. Its CAS registry number is 6130-64-9. The IUPAC name is 2-(diethylamino)ethyl 4-aminobenzoate, (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, hydrate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2-(diethylamino)ethyl 4-aminobenzoate, (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, hydrate
CAS number
6130-64-9 CAS number cross-checked
EC number
612-112-2
Molecular formula
C29H40N4O7S
UNII
17R794ESYN
InChIKey
KZDCMKVLEYCGQX-UDPGNSCCSA-N
InChI
InChI=1S/C16H18N2O4S.C13H20N2O2.H2O/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9;1-3-15(4-2)9-10-17-13(16)11-5-7-12(14)8-6-11;/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22);5-8H,3-4,9-10,14H2,1-2H3;1H2/t11-,12+,14-;;/m1../s1
Canonical SMILES
CC1(C)SC2C(NC(=O)Cc3ccccc3)C(=O)N2C1C(=O)O.CCN(CC)CCOC(=O)c1ccc(N)cc1.O
Isomeric SMILES
CCN(CC)CCOC(=O)C1=CC=C(C=C1)N.CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)C.O

Synonyms

  • Duracillin
  • Bactracillin G
  • Penicillin G procaine
  • Penicillin G procaine (USP)
  • Procaine penicillin
  • Procaine penicillin G hydrate
  • Procaine penicillin G monohydrate
  • Penicillin G procaine hydrate
  • Procaine penicilline G hydrate
  • Penicillin 100
  • Benzylpenicillin procaine monohydrate
  • Penicillin G procaine (hydrate)
  • Despacilina
  • Distaquaine
  • Ledercillin
  • Millicillin
  • Parencillin
  • Premocillin
  • Prostabillin
  • Afsillin
  • Aquacilina
  • Aquacillin
  • Aquasuspen
  • Avloprocil
  • Cilicaine
Show all 38 synonyms
  • Kabipenin
  • Mylipen
  • Neoproc
  • Procanodia
  • Sharcillin
  • Wycillin
  • Depo-Penicillin
  • Penaquacaine G
  • Ampin-penicillin
  • Abbocillin-DC
  • Flo-Cillin
  • Pen-Fifty
  • Pro-pen

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
588.73 g/molcalc.
Exact mass
588.2618 Dacalc.
LogP (octanol/water)
1.8calc.
Topological polar surface area
173.8 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
8calc.
Rotatable bonds
10calc.
Heavy atoms
41calc.
Rings
4calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.45calc.
Formal charge
0calc.
Stereocentres
3calc.
Components
3calc.
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=C(Cc1ccccc1)NC1C(=O)N2CCSC12

O=C(Cc1ccccc1)NC1C(=O)N2CCSC12

3 rings, 18 atoms.

177 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

  • H317May cause an allergic skin reaction.
  • H334May cause allergy or asthma symptoms or breathing difficulties if inhaled.
Precautionary statements (15)
  • P233Keep container tightly closed.
  • P260Do not breathe dust, fume, gas, mist, vapours or spray.
  • P261Avoid breathing dust, fume, gas, mist, vapours or spray.
  • 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.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P333 + P317If skin irritation or rash occurs: 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.
  • 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

Crysticillin suppliers

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

All 14 suppliers
14 of 14 offers

Suppliers marked Unclaimed profile have not claimed their profile yet. They are not verified by CompoundList, their offers are price on request and details may have changed, so please confirm them with the supplier. Company representatives can claim a profile with a business email on the company's own website domain. Our team verifies each claim and sends the result by email.

Where suppliers are based

14 suppliers in 7 countries

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Crysticillin price

Indicative price range per kg from live supplier offers

No published prices right now

Suppliers quote this chemical on request. Send one free request and compare quotes side by side.

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Uses and applications

What the substance is used for, by industry and function

Roles

  • antibacterial agent
  • antiinfective agent
  • antimicrobial agent
  • 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 Crysticillin 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 Crysticillin is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

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

What is Crysticillin?

Crysticillin is a chemical substance with the molecular formula C29H40N4O7S and a molar mass of 588.73 g/mol. Its CAS registry number is 6130-64-9.

What is the CAS number of Crysticillin?

The CAS registry number of Crysticillin is 6130-64-9.

What is the molecular formula and weight of Crysticillin?

The molecular formula of Crysticillin is C29H40N4O7S and its molar mass is 588.73 g/mol.

What is Crysticillin used for?

Known uses and roles of Crysticillin include building blocks in research and laboratory, screening compounds in research and laboratory, antibacterial agent, antiinfective agent, antimicrobial agent and 1 more.

Is Crysticillin hazardous?

Crysticillin carries the GHS signal word "Danger". Main hazards: may cause an allergic skin reaction, may cause allergy or asthma symptoms or breathing difficulties if inhaled. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Crysticillin?

Crysticillin 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 Crysticillin?

CompoundList lists 14 suppliers of Crysticillin in China, United States, France, Hong Kong and 3 more. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

Where can I buy Crysticillin in India?

1 supplier in India list Crysticillin on CompoundList. Filter the suppliers list by country and send a request to compare prices, grades and delivery times.

What is the price of Crysticillin?

Suppliers quote Crysticillin 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 Crysticillin

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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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