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Crotamine

Also known as Crotamin

CAS 58740-15-1Formula C214H326N64O54S7Molar mass 4,883.83 g/mol
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Crotamine chemical structure, C214H326N64O54S7, CAS 58740-15-1
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
58740-15-1
Formula
C214H326N64O54S7
Molar mass
4,883.83 g/mol
HS code
293499
Category
Peptides

What is Crotamine?

Plain description, key identifiers and synonyms

Crotamine is a chemical substance with the molecular formula C214H326N64O54S7 and a molar mass of 4,883.83 g/mol. Its CAS registry number is 58740-15-1. The IUPAC name is 3-[(1R,2aS,4S,5aS,8aS,10S,15aR,16S,19S,22S,25S,28S,34S,37S,40S,43R,46S,49S,52S,55S,58S,61R,66R,69S,72S,75S,84S,87R,90S,96S,99S)-66-[[(2S)-5-amino-2-[[(2S)-6-amino-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]-5-oxopentanoyl]amino]-15a-[[(2S)-6-amino-1-[[(2S)-6-amino-1-[[2-[[(2S)-1-(carboxymethylamino)-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]carbamoyl]-5a,34,58,72,75,99-hexakis(4-aminobutyl)-28,90-dibenzyl-8a-[(2S)-butan-2-yl]-46,52-bis(3-carbamimidamidopropyl)-25,40-bis(carboxymethyl)-19,22-bis(hydroxymethyl)-69,84-bis(1H-imidazol-5-ylmethyl)-49,55-bis(1H-indol-3-ylmethyl)-4-(2-methylpropyl)-37-(2-methylsulfanylethyl)-a,2,3a,5,6a,9a,11,17,17a,20,23

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,26,29,32,35,38,41,44,47,50,53,56,59,67,70,73,76,79,82,85,88,91,97-tritriacontaoxo-12a,13a,19a,20a,63,64-hexathia-1a,3,4a,6,7a,10a,12,16a,18,21,24,27,30,33,36,39,42,45,48,51,54,57,60,68,71,74,77,80,83,86,89,92,98-tritriacontazahexacyclo[59.49.7.443,87.06,10.012,16.092,96....

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
3-[(1R,2aS,4S,5aS,8aS,10S,15aR,16S,19S,22S,25S,28S,34S,37S,40S,43R,46S,49S,52S,55S,58S,61R,66R,69S,72S,75S,84S,87R,90S,96S,99S)-66-[[(2S)-5-amino-2-[[(2S)-6-amino-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]-5-oxopentanoyl]amino]-15a-[[(2S)-6-amino-1-[[(2S)-6-amino-1-[[2-[[(2S)-1-(carboxymethylamino)-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]carbamoyl]-5a,34,58,72,75,99-hexakis(4-aminobutyl)-28,90-dibenzyl-8a-[(2S)-butan-2-yl]-46,52-bis(3-carbamimidamidopropyl)-25,40-bis(carboxymethyl)-19,22-bis(hydroxymethyl)-69,84-bis(1H-imidazol-5-ylmethyl)-49,55-bis(1H-indol-3-ylmethyl)-4-(2-methylpropyl)-37-(2-methylsulfanylethyl)-a,2,3a,5,6a,9a,11,17,17a,20,23,26,29,32,35,38,41,44,47,50,53,56,59,67,70,73,76,79,82,85,88,91,97-tritriacontaoxo-12a,13a,19a,20a,63,64-hexathia-1a,3,4a,6,7a,10a,12,16a,18,21,24,27,30,33,36,39,42,45,48,51,54,57,60,68,71,74,77,80,83,86,89,92,98-tritriacontazahexacyclo[59.49.7.443,87.06,10.012,16.092,96...
CAS number
58740-15-1
Molecular formula
C214H326N64O54S7
UNII
E58TBP78IH
InChIKey
PEFQQQGFYPMQLH-WFQFKEFWSA-N
InChI
InChI=1S/C214H326N64O54S7/c1-6-117(4)175-209(329)274-162-113-339-335-109-158(202(322)253-136(53-22-31-76-220)184(304)248-132(49-18-27-72-216)178(298)238-103-170(287)245-154(105-279)180(300)240-104-174(294)295)273-206(326)161-112-338-336-110-159(270-190(310)142(66-68-166(225)283)255-182(302)134(51-20-29-74-218)246-176(296)128(224)87-120-62-64-125(282)65-63-120)203(323)262-149(93-124-99-231-115-242-124)196(316)251-135(52-21-30-75-219)183(303)247-131(48-17-26-71-215)177(297)237-100-167(284)236-101-168(285)244-148(92-123-98-230-114-241-123)195(315)271-160(204(324)266-153(89-119-42-11-8-12-43-119)211(331)276-82-37-59-163(276)207(327)258-138(55-24-33-78-222)185(305)256-143(67-69-171(288)289)189(309)249-139(192(312)275-175)56-25-34-79-223)111-337-334-108-157(201(321)254-141(58-36-81-233-214(228)229)187(307)261-147(91-122-97-235-130-47-16-14-45-127(122)130)194(314)252-140(57-35-80-232-213(226)227)186(306)260-146(90-121-96-234-129-46-15-13-44-126(121)129)193(313)250-137(188(308)269-161)54-23-32-77-221)272-198(318)151(95-173(292)293)263-191(311)144(70-85-333-5)257-181(301)133(50-19-28-73-217)243-169(286)102-239-179(299)145(88-118-40-9-7-10-41-118)259-197(317)150(94-172(290)291)264-199(319)155(106-280)267-200(320)156(107-281)268-208(328)164-60-38-83-277(164)212(332)165-61-39-84-278(165)210(330)152(86-116(2)3)265-205(162)325/h7-16,40-47,62-65,96-99,114-117,128,131-165,175,234-235,279-282H,6,17-39,48-61,66-95,100-113,215-224H2,1-5H3,(H2,225,283)(H,230,241)(H,231,242)(H,236,284)(H,237,297)(H,238,298)(H,239,299)(H,240,300)(H,243,286)(H,244,285)(H,245,287)(H,246,296)(H,247,303)(H,248,304)(H,249,309)(H,250,313)(H,251,316)(H,252,314)(H,253,322)(H,254,321)(H,255,302)(H,256,305)(H,257,301)(H,258,327)(H,259,317)(H,260,306)(H,261,307)(H,262,323)(H,263,311)(H,264,319)(H,265,325)(H,266,324)(H,267,320)(H,268,328)(H,269,308)(H,270,310)(H,271,315)(H,272,318)(H,273,326)(H,274,329)(H,275,312)(H,288,289)(H,290,291)(H,292,293)(H,294,295)(H4,226,227,232)(H4,228,229,233)/t117-,128-,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-,156-,157-,158-,159-,160-,161-,162-,163-,164-,165-,175-/m0/s1
Canonical SMILES
CCC(C)C1NC(=O)C(CCCCN)NC(=O)C(CCC(=O)O)NC(=O)C(CCCCN)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)C2CSSCC3NC(=O)C(CC(=O)O)NC(=O)C(CCSC)NC(=O)C(CCCCN)NC(=O)CNC(=O)C(Cc4ccccc4)NC(=O)C(CC(=O)O)NC(=O)C(CO)NC(=O)C(CO)NC(=O)C4CCCN4C(=O)C4CCCN4C(=O)C(CC(C)C)NC(=O)C(CSSCC(C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NCC(=O)NC(CO)C(=O)NCC(=O)O)NC(=O)C(CSSCC(NC(=O)C(CCC(N)=O)NC(=O)C(CCCCN)NC(=O)C(N)Cc4ccc(O)cc4)C(=O)NC(Cc4cnc[nH]4)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NCC(=O)NCC(=O)NC(Cc4cnc[nH]4)C(=O)N2)NC(=O)C(CCCCN)NC(=O)C(Cc2c[nH]c4ccccc24)NC(=O)C(CCCNC(=N)N)NC(=O)C(Cc2c[nH]c4ccccc24)NC(=O)C(CCCNC(=N)N)NC3=O)NC1=O
Isomeric SMILES
CC[C@H](C)[C@H]1C(=O)N[C@H]2CSSC[C@H](NC(=O)[C@@H]3CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)NCC(=O)N[C@H](C(=O)N[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)N[C@H](C(=O)N3)CCCCN)CC4=CNC5=CC=CC=C54)CCCNC(=N)N)CC6=CNC7=CC=CC=C76)CCCNC(=N)N)NC(=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](NC(=O)[C@@H](NC(=O)[C@@H]8CCCN8C(=O)[C@@H]9CCCN9C(=O)[C@@H](NC2=O)CC(C)C)CO)CO)CC(=O)O)CC2=CC=CC=C2)CCCCN)CCSC)CC(=O)O)C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CCCCN)CCC(=O)O)CCCCN)CC1=CC=CC=C1)CC1=CN=CN1)CCCCN)CCCCN)CC1=CN=CN1)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC1=CC=C(C=C1)O)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CO)C(=O)NCC(=O)O

Synonyms

  • Crotamin

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
4,883.83 g/molcalc.
Exact mass
4,880.2776 Dacalc.
LogP (octanol/water)
-16.46calc.
Topological polar surface area
1,913 Ųcalc.
Hydrogen bond donors
67calc.
Hydrogen bond acceptors
71calc.
Rotatable bonds
95calc.
Heavy atoms
339calc.
Rings
16calc.
Aromatic rings
9calc.
Fraction sp3 carbons
0.59calc.
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.

Crotamine suppliers

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All 3 suppliers

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Where suppliers are based

3 suppliers in 3 countries

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

Frequently asked questions

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

What is Crotamine?

Crotamine is a chemical substance with the molecular formula C214H326N64O54S7 and a molar mass of 4,883.83 g/mol. Its CAS registry number is 58740-15-1.

What is the CAS number of Crotamine?

The CAS registry number of Crotamine is 58740-15-1.

What is the molecular formula and weight of Crotamine?

The molecular formula of Crotamine is C214H326N64O54S7 and its molar mass is 4,883.83 g/mol.

Is Crotamine hazardous?

No GHS hazard classification for Crotamine 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 Crotamine?

Crotamine 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 Crotamine?

CompoundList lists 3 suppliers of Crotamine in Belgium, China and 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 Crotamine?

Suppliers quote Crotamine 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 Crotamine

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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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