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Apamin

Also known as Apamine, Ro 23-6721, Apamin (reduced) cyclic (1-11),(3-15)-bis(disulfide)

CAS 24345-16-2Formula C79H131N31O24S4Molar mass 2,027.38 g/molEC 246-182-7
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Apamin chemical structure, C79H131N31O24S4, CAS 24345-16-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
24345-16-2
Formula
C79H131N31O24S4
Molar mass
2,027.38 g/mol
EC number
246-182-7
HS code
293499
Category
Peptides

What is Apamin?

Plain description, key identifiers and synonyms

Apamin is a chemical substance with the molecular formula C79H131N31O24S4 and a molar mass of 2,027.38 g/mol. Its CAS registry number is 24345-16-2. The IUPAC name is 3-[(1R,4S,7S,13S,16S,19S,22S,25S,28R,31S,34S,37S,40R,47S,50R)-50-amino-40-[[(2S)-5-amino-1-[[(2S)-5-amino-1-[[(2S)-1-amino-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]carbamoyl]-4-(4-aminobutyl)-47-(2-amino-2-oxoethyl)-34,37-bis(3-carbamimidamidopropyl)-19-[(1R)-1-hydroxyethyl]-7,22,31-trimethyl-25-(2-methylpropyl)-2,5,8,14,17,20,23,26,29,32,35,38,46,49-tetradecaoxo-42,43,52,53-tetrathia-3,6,9,15,18,21,24,27,30,33,36,39,45,48-tetradecazatricyclo[26.16.10.09,13]tetrapentacontan-16-yl]propanoic acid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
3-[(1R,4S,7S,13S,16S,19S,22S,25S,28R,31S,34S,37S,40R,47S,50R)-50-amino-40-[[(2S)-5-amino-1-[[(2S)-5-amino-1-[[(2S)-1-amino-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]carbamoyl]-4-(4-aminobutyl)-47-(2-amino-2-oxoethyl)-34,37-bis(3-carbamimidamidopropyl)-19-[(1R)-1-hydroxyethyl]-7,22,31-trimethyl-25-(2-methylpropyl)-2,5,8,14,17,20,23,26,29,32,35,38,46,49-tetradecaoxo-42,43,52,53-tetrathia-3,6,9,15,18,21,24,27,30,33,36,39,45,48-tetradecazatricyclo[26.16.10.09,13]tetrapentacontan-16-yl]propanoic acid
CAS number
24345-16-2 CAS number cross-checked
EC number
246-182-7
Molecular formula
C79H131N31O24S4
UNII
X644P85KUR
InChIKey
YVIIHEKJCKCXOB-STYWVVQQSA-N
InChI
InChI=1S/C79H131N31O24S4/c1-35(2)26-49-70(127)107-51-31-136-135-30-41(81)63(120)105-50(28-57(84)114)71(128)108-53(73(130)99-42(12-7-8-22-80)64(121)96-38(5)77(134)110-25-11-15-54(110)75(132)102-47(18-21-58(115)116)69(126)109-59(39(6)111)76(133)95-37(4)62(119)104-49)33-138-137-32-52(106-66(123)44(14-10-24-92-79(88)89)98-65(122)43(13-9-23-91-78(86)87)97-61(118)36(3)94-72(51)129)74(131)101-45(16-19-55(82)112)67(124)100-46(17-20-56(83)113)68(125)103-48(60(85)117)27-40-29-90-34-93-40/h29,34-39,41-54,59,111H,7-28,30-33,80-81H2,1-6H3,(H2,82,112)(H2,83,113)(H2,84,114)(H2,85,117)(H,90,93)(H,94,129)(H,95,133)(H,96,121)(H,97,118)(H,98,122)(H,99,130)(H,100,124)(H,101,131)(H,102,132)(H,103,125)(H,104,119)(H,105,120)(H,106,123)(H,107,127)(H,108,128)(H,109,126)(H,115,116)(H4,86,87,91)(H4,88,89,92)/t36-,37-,38-,39+,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,59-/m0/s1
Canonical SMILES
CC(C)CC1NC(=O)C(C)NC(=O)C(C(C)O)NC(=O)C(CCC(=O)O)NC(=O)C2CCCN2C(=O)C(C)NC(=O)C(CCCCN)NC(=O)C2CSSCC(C(=O)NC(CCC(N)=O)C(=O)NC(CCC(N)=O)C(=O)NC(Cc3c[nH]cn3)C(N)=O)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(C)NC(=O)C(CSSCC(N)C(=O)NC(CC(N)=O)C(=O)N2)NC1=O
Isomeric SMILES
C[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)N3CCC[C@H]3C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N2)CC(=O)N)N)C(=O)N1)CC(C)C)C)[C@@H](C)O)CCC(=O)O)C)CCCCN)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC4=CNC=N4)C(=O)N)CCCNC(=N)N)CCCNC(=N)N

Synonyms

  • Apamine
  • Ro 23-6721
  • Apamin (reduced) cyclic (1-11),(3-15)-bis(disulfide)

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
2,027.38 g/molcalc.
Exact mass
2,025.8866 Dacalc.
LogP (octanol/water)
-12.28calc.
Topological polar surface area
920.3 Ųcalc.
Hydrogen bond donors
31calc.
Hydrogen bond acceptors
32calc.
Rotatable bonds
35calc.
Heavy atoms
138calc.
Rings
4calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.66calc.
Formal charge
0calc.
Stereocentres
19calc.
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=C1CCSSCC2NC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)C3CCCN3C(=O)CNC(=O)CNC(=O)C(CSSCC(C(=O)NCC(=O)NCC(=O)NCCc3c[nH]cn3)NC(=O)CNC(=O)CNC(=O)CNC2=O)NC(=O)CN1

O=C1CCSSCC2NC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)C3CCCN3C(=O)CNC(=O)CNC(=O)C(CSSCC(C(=O)NCC(=O)NCC(=O)NCCc3c[nH]cn3)NC(=O)CNC(=O)CNC(=O)CNC2=O)NC(=O)CN1

4 rings, 86 atoms.

6 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.

Apamin suppliers

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

All 6 suppliers
6 of 6 offers
  • Fermentek Ltd
    IsraelUnclaimed profile
    ApaminGrade, purity and minimum order on request
    Price on request
    View
  • Aces Pharma, Inc.
    United StatesUnclaimed profile
    ApaminGrade, purity and minimum order on request
    Price on request
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  • Smartox Biotechnology
    FranceUnclaimed profile
    ApaminGrade, purity and minimum order on request
    Price on request
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  • MedicaPharma
    Netherlands ManufacturerUnclaimed profile
    ApamineGrade, purity and minimum order on request
    Price on request
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  • Hello Bio
    United Kingdom, AvonmouthUnclaimed profile
    ApaminGrade, purity and minimum order on request
    Price on request
    View
  • LKT Laboratories, Inc.
    United States, St. PaulUnclaimed profile
    ApaminGrade, purity and minimum order on request
    Price on request
    View

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

6 suppliers in 5 countries

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Apamin 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 Apamin 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 Apamin is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

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

What is Apamin?

Apamin is a chemical substance with the molecular formula C79H131N31O24S4 and a molar mass of 2,027.38 g/mol. Its CAS registry number is 24345-16-2.

What is the CAS number of Apamin?

The CAS registry number of Apamin is 24345-16-2.

What is the molecular formula and weight of Apamin?

The molecular formula of Apamin is C79H131N31O24S4 and its molar mass is 2,027.38 g/mol.

Is Apamin hazardous?

No GHS hazard classification for Apamin 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 Apamin?

Apamin 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 Apamin?

CompoundList lists 6 suppliers of Apamin in United States, France, United Kingdom, Israel and 1 more. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Apamin?

Suppliers quote Apamin 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 Apamin

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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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