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Screening compounds

Terdecamycin

Also known as Terdecamicina, Terdecamycinum, terdecamycine

CAS 113167-61-6Formula C31H43N3O8Molar mass 585.70 g/molEC 688-118-4
GHS signal word: Warning. Pictograms: Harmful or irritant
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Terdecamycin chemical structure, C31H43N3O8, CAS 113167-61-6
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
113167-61-6
Formula
C31H43N3O8
Molar mass
585.70 g/mol
EC number
688-118-4
HS code
293499
Category
Screening compounds

What is Terdecamycin?

Plain description, key identifiers and synonyms

Terdecamycin is a chemical substance with the molecular formula C31H43N3O8 and a molar mass of 585.70 g/mol. Its CAS registry number is 113167-61-6. The IUPAC name is [(1S,2R,3E,5E,7S,9E,11E,13S,15R,19R)-13-hydroxy-1,4,10,19-tetramethyl-17,18-dioxo-2-(2-oxopropanoylamino)-16-oxabicyclo[13.2.2]nonadeca-3,5,9,11-tetraen-7-yl] 4-methylpiperazine-1-carboxylate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(1S,2R,3E,5E,7S,9E,11E,13S,15R,19R)-13-hydroxy-1,4,10,19-tetramethyl-17,18-dioxo-2-(2-oxopropanoylamino)-16-oxabicyclo[13.2.2]nonadeca-3,5,9,11-tetraen-7-yl] 4-methylpiperazine-1-carboxylate
CAS number
113167-61-6
EC number
688-118-4
Molecular formula
C31H43N3O8
UNII
2F6E3ZFI88
InChIKey
ZNZIMXXFUIVOSF-KHDAEWLFSA-N
InChI
InChI=1S/C31H43N3O8/c1-19-7-10-23(36)18-25-21(3)27(37)31(5,29(39)42-25)26(32-28(38)22(4)35)17-20(2)9-12-24(11-8-19)41-30(40)34-15-13-33(6)14-16-34/h7-10,12,17,21,23-26,36H,11,13-16,18H2,1-6H3,(H,32,38)/b10-7+,12-9+,19-8+,20-17+/t21-,23-,24+,25-,26-,31+/m1/s1
Canonical SMILES
CC(=O)C(=O)NC1C=C(C)C=CC(OC(=O)N2CCN(C)CC2)CC=C(C)C=CC(O)CC2OC(=O)C1(C)C(=O)C2C
Isomeric SMILES
C[C@@H]1[C@H]2C[C@@H](/C=C/C(=C/C[C@@H](/C=C/C(=C/[C@H]([C@@](C1=O)(C(=O)O2)C)NC(=O)C(=O)C)/C)OC(=O)N3CCN(CC3)C)/C)O

Synonyms

  • Terdecamicina
  • Terdecamycinum
  • terdecamycine

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
585.70 g/molcalc.
Exact mass
585.305 Dacalc.
LogP (octanol/water)
2.11calc.
Topological polar surface area
142.6 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
9calc.
Rotatable bonds
3calc.
Heavy atoms
42calc.
Rings
4calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.58calc.
Formal charge
0calc.
Stereocentres
6calc.
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=C1CC2CCC=CC=CCC(OC(=O)N3CCNCC3)C=CC=CCC1C(=O)O2

O=C1CC2CCC=CC=CCC(OC(=O)N3CCNCC3)C=CC=CCC1C(=O)O2

4 rings, 30 atoms.

No other chemical in our database has this scaffold.

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Warning
GHS07: Harmful or irritant
Harmful or irritant

Hazard statements

  • H315Causes skin irritation.
  • H319Causes serious eye irritation.
Precautionary statements (9)
  • P264Wash skin thoroughly after handling.
  • P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P302 + P352If on skin: Wash with plenty of water.
  • P305 + P351 + P338If in eyes: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • 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.

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

Terdecamycin suppliers

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Terdecamycin 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

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 Terdecamycin is traded under.

HS 2934.99Indicative HS code

Nucleic acids and their salts, other heterocyclic compounds, not elsewhere classified in heading 2934

World exports in 2024
$26.7B
+15.0% vs 2023, imports $26.3B
2019 to 2024
Top exporters
  1. Ireland26.3%
  2. China15.7%
  3. Singapore10.3%
Top importers
  1. United States24.5%
  2. Germany23.1%
  3. Japan4.5%
Reported customs values in USD, not prices.Full trade data

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

Frequently asked questions

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

What is Terdecamycin?

Terdecamycin is a chemical substance with the molecular formula C31H43N3O8 and a molar mass of 585.70 g/mol. Its CAS registry number is 113167-61-6.

What is the CAS number of Terdecamycin?

The CAS registry number of Terdecamycin is 113167-61-6.

What is the molecular formula and weight of Terdecamycin?

The molecular formula of Terdecamycin is C31H43N3O8 and its molar mass is 585.70 g/mol.

What is Terdecamycin used for?

Known uses and roles of Terdecamycin include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Terdecamycin hazardous?

Terdecamycin carries the GHS signal word "Warning". Main hazards: 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 Terdecamycin?

Terdecamycin is usually classified under HS code 293499 (Nucleic acids and their salts, whether or not chemically defined, other heterocyclic…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Terdecamycin?

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What is the price of Terdecamycin?

Suppliers quote Terdecamycin 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 Terdecamycin

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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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