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Peptides

Anthopleurin-A

Also known as Anthopleurin A, Anthopleurotoxin A, Anthopleurin A(Anthopleura xanthogrammica)

CAS 60880-63-9Formula C215H326N62O67S6Molar mass 5,043.74 g/molEC 686-421-6
GHS signal word: Danger. Pictograms: Acute toxicity (severe) 1 supplier listed
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Anthopleurin-A chemical structure, C215H326N62O67S6, CAS 60880-63-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
60880-63-9
Formula
C215H326N62O67S6
Molar mass
5,043.74 g/mol
EC number
686-421-6
HS code
293329
Category
Peptides

What is Anthopleurin-A?

Plain description, key identifiers and synonyms

Anthopleurin-A is a chemical substance with the molecular formula C215H326N62O67S6 and a molar mass of 5,043.74 g/mol. Its CAS registry number is 60880-63-9. The IUPAC name is (3S)-3-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]-3-sulfanylpropanoyl]amino]-4-methylpentanoyl]amino]-3-sulfanylpropanoyl]amino]-3-carboxypropanoyl]amino]-3-hydroxypropanoyl]amino]-4-[[2-[(2S)-2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-4-amino-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[[(2S)-1-[[2-[[(2R)-1-[(2S)-2-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2R)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[2-[(2S)-2-[[(2S,3R)-1-[[(2S,3S)-1-[[2-[[(2S)-1-[[(2R)-1-[[(2R)-1-[[(2S)-6-amino-1-(carboxymethylamino)-1-oxohexan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-1-oxo-3-sulfa

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nylpropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]ami....

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(3S)-3-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]-3-sulfanylpropanoyl]amino]-4-methylpentanoyl]amino]-3-sulfanylpropanoyl]amino]-3-carboxypropanoyl]amino]-3-hydroxypropanoyl]amino]-4-[[2-[(2S)-2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-4-amino-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[[(2S)-1-[[2-[[(2R)-1-[(2S)-2-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2R)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[2-[(2S)-2-[[(2S,3R)-1-[[(2S,3S)-1-[[2-[[(2S)-1-[[(2R)-1-[[(2R)-1-[[(2S)-6-amino-1-(carboxymethylamino)-1-oxohexan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]ami...
CAS number
60880-63-9 CAS number cross-checked
EC number
686-421-6
Molecular formula
C215H326N62O67S6
InChIKey
DCHLNFQWPLNLQG-OWIWTKNASA-N
InChI
InChI=1S/C215H326N62O67S6/c1-19-106(14)171(207(337)232-81-161(294)239-130(63-111-44-48-117(287)49-45-111)188(318)264-150(96-349)202(332)267-147(93-346)198(328)243-123(37-24-26-52-216)177(307)235-85-168(303)304)271-212(342)174(110(18)286)273-206(336)153-41-30-56-275(153)165(298)83-233-178(308)133(67-115-76-223-98-236-115)246-175(305)107(15)238-183(313)125(38-25-27-53-217)244-199(329)146(92-345)265-192(322)136(70-157(220)290)251-191(321)134(68-116-77-224-99-237-116)250-189(319)131(65-113-74-226-121-35-22-20-33-119(113)121)240-159(292)79-229-181(311)141(87-279)260-205(335)155-43-32-58-277(155)214(344)151(97-350)242-162(295)80-230-182(312)142(88-280)259-204(334)154-42-31-57-276(154)213(343)139(64-112-46-50-118(288)51-47-112)256-185(315)126(59-100(2)3)247-190(320)132(66-114-75-227-122-36-23-21-34-120(114)122)249-184(314)128(61-102(6)7)254-210(340)172(108(16)284)269-163(296)82-231-180(310)140(86-278)257-186(316)129(62-103(8)9)255-211(341)173(109(17)285)272-194(324)135(69-156(219)289)241-160(293)78-228-176(306)124(39-28-54-225-215(221)222)245-209(339)170(105(12)13)270-197(327)145(91-283)261-203(333)152-40-29-55-274(152)164(297)84-234-179(309)137(71-166(299)300)252-195(325)143(89-281)258-193(323)138(72-167(301)302)253-201(331)148(94-347)263-187(317)127(60-101(4)5)248-200(330)149(95-348)266-196(326)144(90-282)262-208(338)169(104(10)11)268-158(291)73-218/h20-23,33-36,44-51,74-77,98-110,123-155,169-174,226-227,278-288,345-350H,19,24-32,37-43,52-73,78-97,216-218H2,1-18H3,(H2,219,289)(H2,220,290)(H,223,236)(H,224,237)(H,228,306)(H,229,311)(H,230,312)(H,231,310)(H,232,337)(H,233,308)(H,234,309)(H,235,307)(H,238,313)(H,239,294)(H,240,292)(H,241,293)(H,242,295)(H,243,328)(H,244,329)(H,245,339)(H,246,305)(H,247,320)(H,248,330)(H,249,314)(H,250,319)(H,251,321)(H,252,325)(H,253,331)(H,254,340)(H,255,341)(H,256,315)(H,257,316)(H,258,323)(H,259,334)(H,260,335)(H,261,333)(H,262,338)(H,263,317)(H,264,318)(H,265,322)(H,266,326)(H,267,332)(H,268,291)(H,269,296)(H,270,327)(H,271,342)(H,272,324)(H,273,336)(H,299,300)(H,301,302)(H,303,304)(H4,221,222,225)/t106-,107-,108+,109+,110+,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151-,152-,153-,154-,155-,169-,170-,171-,172-,173-,174-/m0/s1
Canonical SMILES
CCC(C)C(NC(=O)C(NC(=O)C1CCCN1C(=O)CNC(=O)C(Cc1cnc[nH]1)NC(=O)C(C)NC(=O)C(CCCCN)NC(=O)C(CS)NC(=O)C(CC(N)=O)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)C(CO)NC(=O)C1CCCN1C(=O)C(CS)NC(=O)CNC(=O)C(CO)NC(=O)C1CCCN1C(=O)C(Cc1ccc(O)cc1)NC(=O)C(CC(C)C)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CC(C)C)NC(=O)C(NC(=O)CNC(=O)C(CO)NC(=O)C(CC(C)C)NC(=O)C(NC(=O)C(CC(N)=O)NC(=O)CNC(=O)C(CCCNC(=N)N)NC(=O)C(NC(=O)C(CO)NC(=O)C1CCCN1C(=O)CNC(=O)C(CC(=O)O)NC(=O)C(CO)NC(=O)C(CC(=O)O)NC(=O)C(CS)NC(=O)C(CC(C)C)NC(=O)C(CS)NC(=O)C(CO)NC(=O)C(NC(=O)CN)C(C)C)C(C)C)C(C)O)C(C)O)C(C)O)C(=O)NCC(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CS)C(=O)NC(CS)C(=O)NC(CCCCN)C(=O)NCC(=O)O
Isomeric SMILES
CC[C@H](C)[C@@H](C(=O)NCC(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]2CCCN2C(=O)CNC(=O)[C@H](CC3=CN=CN3)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CS)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC4=CN=CN4)NC(=O)[C@H](CC5=CNC6=CC=CC=C65)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H]7CCCN7C(=O)[C@H](CS)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H]8CCCN8C(=O)[C@H](CC9=CC=C(C=C9)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)[C@H](CC(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(=O)N)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CS)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CS)NC(=O)[C@H](CO)NC(=O)[C@H](C(C)C)NC(=O)CN

Synonyms

  • Anthopleurin A
  • Anthopleurotoxin A
  • Anthopleurin A(Anthopleura xanthogrammica)

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
5,043.74 g/molcalc.
Exact mass
5,040.2333 Dacalc.
LogP (octanol/water)
-26.89calc.
Topological polar surface area
2,011 Ųcalc.
Hydrogen bond donors
76calc.
Hydrogen bond acceptors
76calc.
Rotatable bonds
152calc.
Heavy atoms
350calc.
Rings
12calc.
Aromatic rings
8calc.
Fraction sp3 carbons
0.59calc.
Formal charge
0calc.
Stereocentres
44calc.
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

GHS signal word
Danger
GHS06: Acute toxicity (severe)
Acute toxicity (severe)

Hazard statements

  • H301Toxic if swallowed.
  • H311Toxic in contact with skin.
  • H330Fatal if inhaled.
  • H331Toxic if inhaled.
Precautionary statements (19)
  • P260Do not breathe dust, fume, gas, mist, vapours or spray.
  • P261Avoid breathing dust, fume, gas, mist, vapours or spray.
  • P262Do not get in eyes, on skin, or on clothing.
  • P264Wash skin thoroughly after handling.
  • P270Do not eat, drink or smoke when using this product.
  • P271Use only outdoors or in a well-ventilated area.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P284In case of inadequate ventilation wear respiratory protection.
  • P301 + P316If swallowed: Get emergency medical help immediately.
  • P302 + P352If on skin: Wash with plenty of water.
  • P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
  • P316Get emergency medical help immediately.
  • P320Specific treatment is urgent (see supplemental first aid instructions on the label).
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P330Rinse mouth.
  • P361 + P364Take off immediately all contaminated clothing. And wash it before reuse.
  • P403 + P233Store in a well-ventilated place. Keep container tightly closed.
  • P405Store locked up.
  • P501Dispose of contents and container in accordance with local regulations.

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

Anthopleurin-A suppliers

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1 supplier in 1 country

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Anthopleurin-A 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

Pharmacological actions

  • Cardiotonic Agents

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 Anthopleurin-A is traded under.

HS 2933.29Indicative HS code

Compounds containing an unfused imidazole ring (whether or not hydrogenated) in the…

World exports in 2024
$1.43B
−7.6% vs 2023, imports $1.47B
2019 to 2024
Top exporters
  1. China28.1%
  2. France * partner reported12.7%
  3. India * partner reported10.3%
Top importers
  1. United Kingdom13.0%
  2. United States7.9%
  3. China6.5%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

Quick answers about Anthopleurin-A, based on the data on this page

What is Anthopleurin-A?

Anthopleurin-A is a chemical substance with the molecular formula C215H326N62O67S6 and a molar mass of 5,043.74 g/mol. Its CAS registry number is 60880-63-9.

What is the CAS number of Anthopleurin-A?

The CAS registry number of Anthopleurin-A is 60880-63-9.

What is the molecular formula and weight of Anthopleurin-A?

The molecular formula of Anthopleurin-A is C215H326N62O67S6 and its molar mass is 5,043.74 g/mol.

What is Anthopleurin-A used for?

Known uses and roles of Anthopleurin-A include cardiotonic agents.

Is Anthopleurin-A hazardous?

Anthopleurin-A carries the GHS signal word "Danger". Main hazards: toxic if swallowed, toxic in contact with skin, fatal if inhaled. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Anthopleurin-A?

Anthopleurin-A is usually classified under HS code 293329 (Compounds containing an unfused imidazole ring (whether or not hydrogenated) in the…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Anthopleurin-A?

CompoundList lists 1 supplier of Anthopleurin-A in China. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Anthopleurin-A?

Suppliers quote Anthopleurin-A 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

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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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