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Dermorphin acetate

Also known as Dermorphin (acetate), 77614-16-5(free base)

CAS 2828433-37-8Formula C42H54N8O12Molar mass 862.94 g/mol
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Dermorphin acetate chemical structure, C42H54N8O12, CAS 2828433-37-8
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
2828433-37-8
Formula
C42H54N8O12
Molar mass
862.94 g/mol
HS code
293399
Category
Peptides

What is Dermorphin acetate?

Plain description, key identifiers and synonyms

Dermorphin acetate is a chemical substance with the molecular formula C42H54N8O12 and a molar mass of 862.94 g/mol. Its CAS registry number is 2828433-37-8. The IUPAC name is acetic acid, (2S)-N-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-1-[(2S)-2-[[2-[[(2S)-2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carboxamide.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
acetic acid, (2S)-N-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-1-[(2S)-2-[[2-[[(2S)-2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carboxamide
CAS number
2828433-37-8
Molecular formula
C42H54N8O12
InChIKey
UQNSJPMLMSSQJY-YYEHHWDVSA-N
InChI
InChI=1S/C40H50N8O10.C2H4O2/c1-23(44-37(55)29(41)18-25-9-13-27(50)14-10-25)36(54)46-30(19-24-6-3-2-4-7-24)38(56)43-21-34(52)45-31(20-26-11-15-28(51)16-12-26)40(58)48-17-5-8-33(48)39(57)47-32(22-49)35(42)53;1-2(3)4/h2-4,6-7,9-16,23,29-33,49-51H,5,8,17-22,41H2,1H3,(H2,42,53)(H,43,56)(H,44,55)(H,45,52)(H,46,54)(H,47,57);1H3,(H,3,4)/t23-,29+,30+,31+,32+,33+;/m1./s1
Canonical SMILES
CC(=O)O.CC(NC(=O)C(N)Cc1ccc(O)cc1)C(=O)NC(Cc1ccccc1)C(=O)NCC(=O)NC(Cc1ccc(O)cc1)C(=O)N1CCCC1C(=O)NC(CO)C(N)=O
Isomeric SMILES
C[C@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCC(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CO)C(=O)N)NC(=O)[C@H](CC4=CC=C(C=C4)O)N.CC(=O)O

Synonyms

  • Dermorphin (acetate)
  • 77614-16-5(free base)

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
862.94 g/molcalc.
Exact mass
862.3861 Dacalc.
LogP (octanol/water)
-1.91calc.
Topological polar surface area
332.9 Ųcalc.
Hydrogen bond donors
11calc.
Hydrogen bond acceptors
12calc.
Rotatable bonds
19calc.
Heavy atoms
62calc.
Rings
4calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.38calc.
Formal charge
0calc.
Stereocentres
6calc.
Components
2calc.
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=C(CCc1ccccc1)NCC(=O)NC(Cc1ccccc1)C(=O)NCC(=O)NC(Cc1ccccc1)C(=O)N1CCCC1

O=C(CCc1ccccc1)NCC(=O)NC(Cc1ccccc1)C(=O)NCC(=O)NC(Cc1ccccc1)C(=O)N1CCCC1

4 rings, 45 atoms.

5 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.

Dermorphin acetate suppliers

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Dermorphin acetate 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 Dermorphin acetate is traded under.

HS 2933.99Indicative HS code

Heterocyclic compounds with nitrogen hetero-atom(s) only, other

World exports in 2024
$12.1B
−31.0% vs 2023, imports $28.8B
2019 to 2024
Top exporters
  1. China30.5%
  2. India * partner reported16.3%
  3. Ireland9.0%
Top importers
  1. Slovenia31.7%
  2. Italy24.2%
  3. United States5.0%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

Quick answers about Dermorphin acetate, based on the data on this page

What is Dermorphin acetate?

Dermorphin acetate is a chemical substance with the molecular formula C42H54N8O12 and a molar mass of 862.94 g/mol. Its CAS registry number is 2828433-37-8.

What is the CAS number of Dermorphin acetate?

The CAS registry number of Dermorphin acetate is 2828433-37-8.

What is the molecular formula and weight of Dermorphin acetate?

The molecular formula of Dermorphin acetate is C42H54N8O12 and its molar mass is 862.94 g/mol.

Is Dermorphin acetate hazardous?

No GHS hazard classification for Dermorphin acetate 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 Dermorphin acetate?

Dermorphin acetate is usually classified under HS code 293399 (Heterocyclic compounds with nitrogen hetero-atom(s) only, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Dermorphin acetate?

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

What is the price of Dermorphin acetate?

Suppliers quote Dermorphin acetate 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 Dermorphin acetate

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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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