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Dotamtate

Also known as Oxoreotide Atexetan

CAS 2415661-92-4Formula C65H93N17O16S2Molar mass 1,432.70 g/mol
1 supplier listed
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Dotamtate chemical structure, C65H93N17O16S2, CAS 2415661-92-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
2415661-92-4
Formula
C65H93N17O16S2
Molar mass
1,432.70 g/mol
HS code
293499
Category
Peptides

What is Dotamtate?

Plain description, key identifiers and synonyms

Dotamtate is a chemical substance with the molecular formula C65H93N17O16S2 and a molar mass of 1,432.70 g/mol. Its CAS registry number is 2415661-92-4. The IUPAC name is (2S,3R)-2-[[(4R,7S,10S,13R,16S,19R)-10-(4-aminobutyl)-7-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-19-[[(2R)-3-phenyl-2-[[2-[4,7,10-tris(2-amino-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]propanoyl]amino]-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]amino]-3-hydroxybutanoic acid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(2S,3R)-2-[[(4R,7S,10S,13R,16S,19R)-10-(4-aminobutyl)-7-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-19-[[(2R)-3-phenyl-2-[[2-[4,7,10-tris(2-amino-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]propanoyl]amino]-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]amino]-3-hydroxybutanoic acid
CAS number
2415661-92-4
Molecular formula
C65H93N17O16S2
UNII
J2KEK56NRS
InChIKey
YXHMVRPWRYCPJP-CSBVGUNJSA-N
InChI
InChI=1S/C65H93N17O16S2/c1-38(83)56-64(96)76-51(63(95)78-57(39(2)84)65(97)98)37-100-99-36-50(75-59(91)47(28-40-10-4-3-5-11-40)71-55(89)35-82-26-24-80(33-53(68)87)22-20-79(32-52(67)86)21-23-81(25-27-82)34-54(69)88)62(94)73-48(29-41-15-17-43(85)18-16-41)60(92)74-49(30-42-31-70-45-13-7-6-12-44(42)45)61(93)72-46(58(90)77-56)14-8-9-19-66/h3-7,10-13,15-18,31,38-39,46-51,56-57,70,83-85H,8-9,14,19-30,32-37,66H2,1-2H3,(H2,67,86)(H2,68,87)(H2,69,88)(H,71,89)(H,72,93)(H,73,94)(H,74,92)(H,75,91)(H,76,96)(H,77,90)(H,78,95)(H,97,98)/t38-,39-,46+,47-,48+,49-,50+,51+,56+,57+/m1/s1
Canonical SMILES
CC(O)C(NC(=O)C1CSSCC(NC(=O)C(Cc2ccccc2)NC(=O)CN2CCN(CC(N)=O)CCN(CC(N)=O)CCN(CC(N)=O)CC2)C(=O)NC(Cc2ccc(O)cc2)C(=O)NC(Cc2c[nH]c3ccccc23)C(=O)NC(CCCCN)C(=O)NC(C(C)O)C(=O)N1)C(=O)O
Isomeric SMILES
C[C@H]([C@H]1C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=C(C=C4)O)NC(=O)[C@@H](CC5=CC=CC=C5)NC(=O)CN6CCN(CCN(CCN(CC6)CC(=O)N)CC(=O)N)CC(=O)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)O)O

Synonyms

  • Oxoreotide Atexetan

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
1,432.70 g/molcalc.
Exact mass
1,431.6428 Dacalc.
LogP (octanol/water)
-5.17calc.
Topological polar surface area
514.8 Ųcalc.
Hydrogen bond donors
17calc.
Hydrogen bond acceptors
22calc.
Rotatable bonds
26calc.
Heavy atoms
100calc.
Rings
6calc.
Aromatic rings
4calc.
Fraction sp3 carbons
0.51calc.
Formal charge
0calc.
Stereocentres
10calc.
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=C1CNC(=O)CNC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(Cc2ccccc2)NC(=O)C(NC(=O)C(Cc2ccccc2)NC(=O)CN2CCNCCNCCNCC2)CSSCCN1

O=C1CNC(=O)CNC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(Cc2ccccc2)NC(=O)C(NC(=O)C(Cc2ccccc2)NC(=O)CN2CCNCCNCCNCC2)CSSCCN1

6 rings, 69 atoms.

21 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.

Dotamtate suppliers

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Where suppliers are based

1 supplier in 0 countries

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

Frequently asked questions

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

What is Dotamtate?

Dotamtate is a chemical substance with the molecular formula C65H93N17O16S2 and a molar mass of 1,432.70 g/mol. Its CAS registry number is 2415661-92-4.

What is the CAS number of Dotamtate?

The CAS registry number of Dotamtate is 2415661-92-4.

What is the molecular formula and weight of Dotamtate?

The molecular formula of Dotamtate is C65H93N17O16S2 and its molar mass is 1,432.70 g/mol.

Is Dotamtate hazardous?

No GHS hazard classification for Dotamtate 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 Dotamtate?

Dotamtate 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 Dotamtate?

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

What is the price of Dotamtate?

Suppliers quote Dotamtate 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 Dotamtate

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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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