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Agitoxin 2

Also known as Agitoxin-2, Agtx 2 (scorpion), Agitoxin 2 (reduced)

CAS 168147-41-9Formula C169H278N54O48S8Molar mass 4,090.95 g/mol
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Agitoxin 2 chemical structure, C169H278N54O48S8, CAS 168147-41-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
168147-41-9
Formula
C169H278N54O48S8
Molar mass
4,090.95 g/mol
HS code
293499
Category
Peptides

What is Agitoxin 2?

Plain description, key identifiers and synonyms

Agitoxin 2 is a chemical substance with the molecular formula C169H278N54O48S8 and a molar mass of 4,090.95 g/mol. Its CAS registry number is 168147-41-9. The IUPAC name is (2S)-6-amino-2-[[(2S)-1-[(2S,3R)-2-[[(1R,4S,7R,12R,15S,18S,21S,27S,30S,33S,39S,42R,47R,50S,56S,62S,65S,68R,75S,78S,81S,84S,89S,92S,98S)-47-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S,3S)-2-[[(2S)-1-[(2S)-2-[(2-aminoacetyl)amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoyl]amino]-4-oxobutanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]-15,39,75,92-tetrakis(4-aminobutyl)-81-(2-amino-2-oxoethyl)-65-(3-amino-3-oxopropyl)-33-benzyl-89-[(2S)-butan-2-yl]-30,78-bis(3-carbamimidamidopropyl)-18-(carboxymethyl)-50-[(1R)-1-hydroxyethyl]-56-(hydroxymethyl)-4-(1H-imidazol-4-ylmethyl)-21-methyl-27,84-bis(2-methylsulfanylethyl)-2,5,13,16,19,22,25,28,31,34,37,40,48,51,54,57,63,66,74,77,80,83,86,87,90,93

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,99-heptacosaoxo-9,10,44,45,70,71-hexathia-a,3,6,14,17,20,23,26,29,32,35,38,41,49,52,55,58,64,67,73,76,79,82,85,88,91,94-heptacosazapentacyclo[40.30.14.1412,68.058,62.094,98]hectane-7-carbonyl]amino]-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]amino]hexanoic acid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(2S)-6-amino-2-[[(2S)-1-[(2S,3R)-2-[[(1R,4S,7R,12R,15S,18S,21S,27S,30S,33S,39S,42R,47R,50S,56S,62S,65S,68R,75S,78S,81S,84S,89S,92S,98S)-47-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S,3S)-2-[[(2S)-1-[(2S)-2-[(2-aminoacetyl)amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoyl]amino]-4-oxobutanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]-15,39,75,92-tetrakis(4-aminobutyl)-81-(2-amino-2-oxoethyl)-65-(3-amino-3-oxopropyl)-33-benzyl-89-[(2S)-butan-2-yl]-30,78-bis(3-carbamimidamidopropyl)-18-(carboxymethyl)-50-[(1R)-1-hydroxyethyl]-56-(hydroxymethyl)-4-(1H-imidazol-4-ylmethyl)-21-methyl-27,84-bis(2-methylsulfanylethyl)-2,5,13,16,19,22,25,28,31,34,37,40,48,51,54,57,63,66,74,77,80,83,86,87,90,93,99-heptacosaoxo-9,10,44,45,70,71-hexathia-a,3,6,14,17,20,23,26,29,32,35,38,41,49,52,55,58,64,67,73,76,79,82,85,88,91,94-heptacosazapentacyclo[40.30.14.1412,68.058,62.094,98]hectane-7-carbonyl]amino]-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]amino]hexanoic acid
CAS number
168147-41-9Other or deprecated CAS: 155646-22-3
Molecular formula
C169H278N54O48S8
InChIKey
MNSSWZUIQUJZTG-OFZOPSLBSA-N
InChI
InChI=1S/C169H278N54O48S8/c1-14-86(7)130-161(264)200-101(40-22-27-55-173)163(266)220-59-31-45-117(220)157(260)213-112-79-276-279-82-115(154(257)219-133(90(11)227)166(269)223-62-33-46-118(223)156(259)201-102(167(270)271)41-23-28-56-174)211-145(248)104(66-92-71-183-83-189-92)203-151(254)111-78-275-277-80-113(152(255)216-130)210-141(244)98(48-49-120(176)228)199-155(258)116-44-32-60-221(116)164(267)109(76-225)193-126(234)74-188-159(262)132(89(10)226)218-153(256)114(212-148(251)108(75-224)207-160(263)128(84(3)4)215-147(250)106(68-122(178)230)206-162(265)131(87(8)15-2)217-158(261)119-47-34-61-222(119)165(268)129(85(5)6)214-123(231)70-175)81-278-274-77-110(149(252)198-100(51-64-273-13)143(246)204-105(67-121(177)229)146(249)196-96(42-29-57-184-168(179)180)137(240)194-95(140(243)209-111)39-21-26-54-172)208-136(239)93(37-19-24-52-170)191-125(233)73-187-135(238)103(65-91-35-17-16-18-36-91)202-139(242)97(43-30-58-185-169(181)182)195-142(245)99(50-63-272-12)192-124(232)72-186-134(237)88(9)190-144(247)107(69-127(235)236)205-138(241)94(197-150(112)253)38-20-25-53-171/h16-18,35-36,71,83-90,93-119,128-133,224-227H,14-15,19-34,37-70,72-82,170-175H2,1-13H3,(H2,176,228)(H2,177,229)(H2,178,230)(H,183,189)(H,186,237)(H,187,238)(H,188,262)(H,190,247)(H,191,233)(H,192,232)(H,193,234)(H,194,240)(H,195,245)(H,196,249)(H,197,253)(H,198,252)(H,199,258)(H,200,264)(H,201,259)(H,202,242)(H,203,254)(H,204,246)(H,205,241)(H,206,265)(H,207,263)(H,208,239)(H,209,243)(H,210,244)(H,211,248)(H,212,251)(H,213,260)(H,214,231)(H,215,250)(H,216,255)(H,217,261)(H,218,256)(H,219,257)(H,235,236)(H,270,271)(H4,179,180,184)(H4,181,182,185)/t86-,87-,88-,89+,90+,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,128-,129-,130-,131-,132-,133-/m0/s1
Canonical SMILES
CCC(C)C1NC(=O)C2CSSCC3NC(=O)C(CCCCN)NC(=O)C(CCCNC(=N)N)NC(=O)C(CC(N)=O)NC(=O)C(CCSC)NC(=O)C(CSSCC(NC(=O)C(CO)NC(=O)C(NC(=O)C(CC(N)=O)NC(=O)C(NC(=O)C4CCCN4C(=O)C(NC(=O)CN)C(C)C)C(C)CC)C(C)C)C(=O)NC(C(C)O)C(=O)NCC(=O)NC(CO)C(=O)N4CCCC4C(=O)NC(CCC(N)=O)C(=O)N2)NC(=O)C(CCCCN)NC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCSC)NC(=O)CNC(=O)C(C)NC(=O)C(CC(=O)O)NC(=O)C(CCCCN)NC(=O)C(CSSCC(C(=O)NC(C(=O)N2CCCC2C(=O)NC(CCCCN)C(=O)O)C(C)O)NC(=O)C(Cc2c[nH]cn2)NC3=O)NC(=O)C2CCCN2C(=O)C(CCCCN)NC1=O
Isomeric SMILES
CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@H]3CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H]4CSSC[C@@H](C(=O)N1)NC(=O)[C@@H](NC(=O)[C@@H]5CCCN5C(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N4)CCCCN)CCCNC(=N)N)CC(=O)N)CCSC)NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC3=O)CCCCN)CC(=O)O)C)CCSC)CCCNC(=N)N)CC6=CC=CC=C6)CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@@H]7CCCN7C(=O)[C@H](C(C)C)NC(=O)CN)[C@@H](C)O)CO)CCC(=O)N)CC8=CNC=N8)C(=O)N[C@@H]([C@@H](C)O)C(=O)N9CCC[C@H]9C(=O)N[C@@H](CCCCN)C(=O)O)CCCCN

Synonyms

  • Agitoxin-2
  • Agtx 2 (scorpion)
  • Agitoxin 2 (reduced)

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
4,090.95 g/molcalc.
Exact mass
4,087.8738 Dacalc.
LogP (octanol/water)
-19.38calc.
Topological polar surface area
1,635 Ųcalc.
Hydrogen bond donors
55calc.
Hydrogen bond acceptors
63calc.
Rotatable bonds
76calc.
Heavy atoms
279calc.
Rings
9calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.69calc.
Formal charge
0calc.
Stereocentres
38calc.
Lipinski rule of five
Fails (3 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

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.

Agitoxin 2 suppliers

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Agitoxin 2 price

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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 Agitoxin 2 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 Agitoxin 2 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Agitoxin 2, based on the data on this page

What is Agitoxin 2?

Agitoxin 2 is a chemical substance with the molecular formula C169H278N54O48S8 and a molar mass of 4,090.95 g/mol. Its CAS registry number is 168147-41-9.

What is the CAS number of Agitoxin 2?

The CAS registry number of Agitoxin 2 is 168147-41-9. Other or deprecated CAS numbers: 155646-22-3.

What is the molecular formula and weight of Agitoxin 2?

The molecular formula of Agitoxin 2 is C169H278N54O48S8 and its molar mass is 4,090.95 g/mol.

Is Agitoxin 2 hazardous?

No GHS hazard classification for Agitoxin 2 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 Agitoxin 2?

Agitoxin 2 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 Agitoxin 2?

CompoundList lists 1 supplier of Agitoxin 2 in France. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Agitoxin 2?

Suppliers quote Agitoxin 2 on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

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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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