CompoundList
Pactamycin chemical structure, C28H38N4O8, CAS 23668-11-3
2D chemical structure

Key facts

What buyers check first

CAS number
23668-11-3
Formula
C28H38N4O8
Molar mass
558.63 g/mol
EC number
684-090-2
HS code
292429
Category
Screening compounds

What is Pactamycin?

Plain description, key identifiers and synonyms

Pactamycin is a chemical substance with the molecular formula C28H38N4O8 and a molar mass of 558.63 g/mol. Its CAS registry number is 23668-11-3. The IUPAC name is [(1S,2R,3R,4S,5S)-5-(3-acetylanilino)-4-amino-3-(dimethylcarbamoylamino)-1,2-dihydroxy-3-[(1S)-1-hydroxyethyl]-2-methylcyclopentyl]methyl 2-hydroxy-6-methylbenzoate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(1S,2R,3R,4S,5S)-5-(3-acetylanilino)-4-amino-3-(dimethylcarbamoylamino)-1,2-dihydroxy-3-[(1S)-1-hydroxyethyl]-2-methylcyclopentyl]methyl 2-hydroxy-6-methylbenzoate
CAS number
23668-11-3 CAS number cross-checked
EC number
684-090-2
Molecular formula
C28H38N4O8
UNII
18P04J5471
InChIKey
WVIUOSJLUCTGFK-JUJPXXQGSA-N
InChI
InChI=1S/C28H38N4O8/c1-15-9-7-12-20(35)21(15)24(36)40-14-27(39)23(30-19-11-8-10-18(13-19)16(2)33)22(29)28(17(3)34,26(27,4)38)31-25(37)32(5)6/h7-13,17,22-23,30,34-35,38-39H,14,29H2,1-6H3,(H,31,37)/t17-,22-,23-,26-,27+,28-/m0/s1
Canonical SMILES
CC(=O)c1cccc(NC2C(N)C(NC(=O)N(C)C)(C(C)O)C(C)(O)C2(O)COC(=O)c2c(C)cccc2O)c1
Isomeric SMILES
CC1=C(C(=CC=C1)O)C(=O)OC[C@]2([C@H]([C@@H]([C@]([C@@]2(C)O)([C@H](C)O)NC(=O)N(C)C)N)NC3=CC=CC(=C3)C(=O)C)O

Synonyms

  • SK 27773
  • PCY
  • Pactamycin, >=95% (HPLC)
  • 2,6-Cresotic acid, monoester with 3-(4-(m-acetylanilino)-5-amino-2,3-dihydroxy-1-(1-hydroxyethyl)-2-(hydroxymethyl)-3-methylcyclopentyl)-1,1-dimethylurea
  • 2,6-Cresotic acid, monoester with 3-(4-(m-acetylanilino)-5-amino-2,3-dihydroxy-1-(1-hydroxyethyl)-2-(hydroxymethyl)-3-methylcyclopentyl)-1,1-dimethylurea(VAN)

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
558.63 g/molcalc.
Exact mass
558.269 Dacalc.
LogP (octanol/water)
0.75calc.
Topological polar surface area
194.7 Ųcalc.
Hydrogen bond donors
7calc.
Hydrogen bond acceptors
10calc.
Rotatable bonds
8calc.
Heavy atoms
40calc.
Rings
3calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.46calc.
Formal charge
0calc.
Stereocentres
6calc.
Lipinski rule of five
Fails (2 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(OCC1CCCC1Nc1ccccc1)c1ccccc1

O=C(OCC1CCCC1Nc1ccccc1)c1ccccc1

3 rings, 22 atoms.

5 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Danger
GHS06: Acute toxicity (severe)
Acute toxicity (severe)
GHS07: Harmful or irritant
Harmful or irritant

Hazard statements

  • H300Fatal if swallowed.
  • H315Causes skin irritation.
  • H319Causes serious eye irritation.
  • H335May cause respiratory irritation.
Precautionary statements (19)
  • 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.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P301 + P316If swallowed: Get emergency medical help immediately.
  • 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).
  • P330Rinse mouth.
  • P332 + P317If skin irritation 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

Pactamycin suppliers

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

All 2 suppliers

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

2 suppliers in 2 countries

Send one request to many suppliers

Choose up to 10 suppliers or let us match your request. Compare quotes side by side, free.

Pactamycin 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.

Get latest price

Uses and applications

What the substance is used for, by industry and function

Pharmacological actions

  • Antibiotics, Antineoplastic
  • Protein Synthesis Inhibitors

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 Pactamycin is traded under.

HS 2924.29Indicative HS code

Cyclic amides (including cyclic carbamates) and their derivatives, salts thereof, other

World exports in 2024
$5.69B
−5.1% vs 2023, imports $5.8B
2019 to 2024
Top exporters
  1. China32.3%
  2. Switzerland * partner reported13.6%
  3. Norway * partner reported12.8%
Top importers
  1. United States15.9%
  2. Ireland15.8%
  3. Germany11.9%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Pactamycin?

Pactamycin is a chemical substance with the molecular formula C28H38N4O8 and a molar mass of 558.63 g/mol. Its CAS registry number is 23668-11-3.

What is the CAS number of Pactamycin?

The CAS registry number of Pactamycin is 23668-11-3.

What is the molecular formula and weight of Pactamycin?

The molecular formula of Pactamycin is C28H38N4O8 and its molar mass is 558.63 g/mol.

What is Pactamycin used for?

Known uses and roles of Pactamycin include building blocks in research and laboratory, screening compounds in research and laboratory, antibiotics, antineoplastic and protein synthesis inhibitors.

Is Pactamycin hazardous?

Pactamycin carries the GHS signal word "Danger". Main hazards: fatal if swallowed, causes skin irritation, causes serious eye irritation. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Pactamycin?

Pactamycin is usually classified under HS code 292429 (Cyclic amides (including cyclic carbamates) and their derivatives, salts thereof, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Pactamycin?

CompoundList lists 2 suppliers of Pactamycin in Australia and China. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Pactamycin?

Suppliers quote Pactamycin 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 Pactamycin

Get quotes for Pactamycin

Post one free request with your grade, quantity and destination. Matching suppliers send quotes you can compare side by side.
Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
Embed this structure on your websiteShow code

Paste this code into your page to show the 2D structure of Pactamycin with a 3D view, its CAS number where known and a link back to this page. Free to use with the link kept.

<iframe src="https://www.compoundlist.com/embed/structure/pactamycin-23668-11-3" title="Pactamycin structure on CompoundList" width="360" height="420" style="border:1px solid #E7E2DA;border-radius:12px;max-width:100%" loading="lazy" referrerpolicy="strict-origin-when-cross-origin"></iframe>
Preview the embed

Explore more in Screening compounds or HS code 292429

2 suppliers
Free quotes, contact stays private
Get quotes