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Amphoteric surfactants

Iturin C3

CAS 164740-75-4Formula C50H77N11O15Molar mass 1,072.23 g/mol
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Iturin C3 chemical structure, C50H77N11O15, CAS 164740-75-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
164740-75-4
Formula
C50H77N11O15
Molar mass
1,072.23 g/mol
HS code
293379
Category
Amphoteric surfactants

What is Iturin C3?

Plain description, key identifiers and synonyms

Iturin C3 is a cyclic peptide.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2-[(3S,6S,9S,12S,19S,22S,25S)-6,22-bis(2-amino-2-oxoethyl)-3-(3-amino-3-oxopropyl)-19-(hydroxymethyl)-9-[(4-hydroxyphenyl)methyl]-16-(11-methyldodecyl)-2,5,8,11,14,18,21,24-octaoxo-1,4,7,10,13,17,20,23-octazabicyclo[23.3.0]octacosan-12-yl]acetic acid
CAS number
164740-75-4
Molecular formula
C50H77N11O15
InChIKey
QUXLPJFBZHRAAF-NDXBOBJVSA-N
InChI
InChI=1S/C50H77N11O15/c1-28(2)12-9-7-5-3-4-6-8-10-13-30-23-42(67)55-36(26-43(68)69)47(73)57-33(22-29-15-17-31(63)18-16-29)44(70)58-34(24-40(52)65)45(71)56-32(19-20-39(51)64)50(76)61-21-11-14-38(61)49(75)59-35(25-41(53)66)46(72)60-37(27-62)48(74)54-30/h15-18,28,30,32-38,62-63H,3-14,19-27H2,1-2H3,(H2,51,64)(H2,52,65)(H2,53,66)(H,54,74)(H,55,67)(H,56,71)(H,57,73)(H,58,70)(H,59,75)(H,60,72)(H,68,69)/t30?,32-,33-,34-,35-,36-,37-,38-/m0/s1
Canonical SMILES
CC(C)CCCCCCCCCCC1CC(=O)NC(CC(=O)O)C(=O)NC(Cc2ccc(O)cc2)C(=O)NC(CC(N)=O)C(=O)NC(CCC(N)=O)C(=O)N2CCCC2C(=O)NC(CC(N)=O)C(=O)NC(CO)C(=O)N1
Isomeric SMILES
CC(C)CCCCCCCCCCC1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CO)CC(=O)N)CCC(=O)N)CC(=O)N)CC3=CC=C(C=C3)O)CC(=O)O

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
1,072.23 g/molcalc.
Exact mass
1,071.5601 Dacalc.
LogP (octanol/water)
-2.24calc.
Topological polar surface area
431 Ųcalc.
Hydrogen bond donors
13calc.
Hydrogen bond acceptors
14calc.
Rotatable bonds
23calc.
Heavy atoms
76calc.
Rings
3calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.64calc.
Formal charge
0calc.
Stereocentres
8calc.
Lipinski rule of five
Fails (3 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=C1CCNC(=O)CNC(=O)CNC(=O)C2CCCN2C(=O)CNC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CN1

O=C1CCNC(=O)CNC(=O)CNC(=O)C2CCCN2C(=O)CNC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CN1

3 rings, 43 atoms.

7 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

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

Iturin C3 suppliers

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Iturin C3 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 Iturin C3 is traded under.

HS 2933.79Indicative HS code

Lactams, other lactams

World exports in 2024
$16.2B
−64.4% vs 2023, imports $15.4B
2019 to 2024
Top exporters
  1. Ireland37.0%
  2. France * partner reported15.6%
  3. Spain11.3%
Top importers
  1. Germany27.8%
  2. Ireland18.9%
  3. Panama * partner reported12.9%

* Partner reported figures, a lower bound.

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

The HS code shown for Iturin C3 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Iturin C3, based on the data on this page

What is Iturin C3?

Iturin C3 is a cyclic peptide.

What is the CAS number of Iturin C3?

The CAS registry number of Iturin C3 is 164740-75-4.

What is the molecular formula and weight of Iturin C3?

The molecular formula of Iturin C3 is C50H77N11O15 and its molar mass is 1,072.23 g/mol.

What is Iturin C3 used for?

Known uses and roles of Iturin C3 include corrosion inhibitors in oil, gas and lubricants and surfactants in home care and cleaning.

Is Iturin C3 hazardous?

No GHS hazard classification for Iturin C3 is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Iturin C3?

Iturin C3 is usually classified under HS code 293379 (Lactams, other lactams). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Iturin C3?

Post a free request on CompoundList and suppliers of Iturin C3 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Iturin C3?

Suppliers quote Iturin C3 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 Iturin C3

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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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