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Oxytocin parallel dimer

CAS 19645-28-4Formula C86H132N24O24S4Molar mass 2,014.41 g/mol
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Oxytocin parallel dimer chemical structure, C86H132N24O24S4, CAS 19645-28-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
19645-28-4
Formula
C86H132N24O24S4
Molar mass
2,014.41 g/mol
HS code
293499
Category
Peptides

What is Oxytocin parallel dimer?

Plain description, key identifiers and synonyms

Oxytocin parallel dimer is a chemical substance with the molecular formula C86H132N24O24S4 and a molar mass of 2,014.41 g/mol. Its CAS registry number is 19645-28-4. The IUPAC name is (2S)-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]-1-[(4R,7S,10S,13S,16S,19R,24R,27S,30S,33S,36S,39R)-19,24-diamino-7,36-bis(2-amino-2-oxoethyl)-39-[(2S)-2-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]-10,33-bis(3-amino-3-oxopropyl)-13,30-bis[(2S)-butan-2-yl]-16,27-bis[(4-hydroxyphenyl)methyl]-6,9,12,15,18,25,28,31,34,37-decaoxo-1,2,21,22-tetrathia-5,8,11,14,17,26,29,32,35,38-decazacyclotetracontane-4-carbonyl]pyrrolidine-2-carboxamide.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(2S)-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]-1-[(4R,7S,10S,13S,16S,19R,24R,27S,30S,33S,36S,39R)-19,24-diamino-7,36-bis(2-amino-2-oxoethyl)-39-[(2S)-2-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]-10,33-bis(3-amino-3-oxopropyl)-13,30-bis[(2S)-butan-2-yl]-16,27-bis[(4-hydroxyphenyl)methyl]-6,9,12,15,18,25,28,31,34,37-decaoxo-1,2,21,22-tetrathia-5,8,11,14,17,26,29,32,35,38-decazacyclotetracontane-4-carbonyl]pyrrolidine-2-carboxamide
CAS number
19645-28-4
Molecular formula
C86H132N24O24S4
InChIKey
QJTGOPRBCPCYLF-AQFNFDSMSA-N
InChI
InChI=1S/C86H132N24O24S4/c1-9-43(7)69-83(131)97-51(23-25-63(89)113)75(123)101-57(33-65(91)115)77(125)105-59(85(133)109-27-11-13-61(109)81(129)103-53(29-41(3)4)73(121)95-35-67(93)117)39-137-138-40-60(86(134)110-28-12-14-62(110)82(130)104-54(30-42(5)6)74(122)96-36-68(94)118)106-78(126)58(34-66(92)116)102-76(124)52(24-26-64(90)114)98-84(132)70(44(8)10-2)108-80(128)56(32-46-17-21-48(112)22-18-46)100-72(120)50(88)38-136-135-37-49(87)71(119)99-55(79(127)107-69)31-45-15-19-47(111)20-16-45/h15-22,41-44,49-62,69-70,111-112H,9-14,23-40,87-88H2,1-8H3,(H2,89,113)(H2,90,114)(H2,91,115)(H2,92,116)(H2,93,117)(H2,94,118)(H,95,121)(H,96,122)(H,97,131)(H,98,132)(H,99,119)(H,100,120)(H,101,123)(H,102,124)(H,103,129)(H,104,130)(H,105,125)(H,106,126)(H,107,127)(H,108,128)/t43-,44-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,69-,70-/m0/s1
Canonical SMILES
CCC(C)C1NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(N)CSSCC(N)C(=O)NC(Cc2ccc(O)cc2)C(=O)NC(C(C)CC)C(=O)NC(CCC(N)=O)C(=O)NC(CC(N)=O)C(=O)NC(C(=O)N2CCCC2C(=O)NC(CC(C)C)C(=O)NCC(N)=O)CSSCC(C(=O)N2CCCC2C(=O)NC(CC(C)C)C(=O)NCC(N)=O)NC(=O)C(CC(N)=O)NC(=O)C(CCC(N)=O)NC1=O
Isomeric SMILES
CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N1)CC2=CC=C(C=C2)O)N)N)CC3=CC=C(C=C3)O)[C@@H](C)CC)CCC(=O)N)CC(=O)N)C(=O)N4CCC[C@H]4C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N)C(=O)N5CCC[C@H]5C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N)CC(=O)N)CCC(=O)N

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
2,014.41 g/molcalc.
Exact mass
2,012.8729 Dacalc.
LogP (octanol/water)
-7.22calc.
Topological polar surface area
799.1 Ųcalc.
Hydrogen bond donors
24calc.
Hydrogen bond acceptors
30calc.
Rotatable bonds
34calc.
Heavy atoms
138calc.
Rings
5calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.61calc.
Formal charge
0calc.
Stereocentres
18calc.
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(Cc2ccccc2)NC(=O)CCSSCCC(=O)NC(Cc2ccccc2)C(=O)NCC(=O)NCC(=O)NCC(=O)NC(C(=O)N2CCCC2)CSSCC(C(=O)N2CCCC2)NC(=O)CN1

O=C1CNC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CCSSCCC(=O)NC(Cc2ccccc2)C(=O)NCC(=O)NCC(=O)NCC(=O)NC(C(=O)N2CCCC2)CSSCC(C(=O)N2CCCC2)NC(=O)CN1

5 rings, 78 atoms.

No other chemical in our database has 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.

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

Frequently asked questions

Quick answers about Oxytocin parallel dimer, based on the data on this page

What is Oxytocin parallel dimer?

Oxytocin parallel dimer is a chemical substance with the molecular formula C86H132N24O24S4 and a molar mass of 2,014.41 g/mol. Its CAS registry number is 19645-28-4.

What is the CAS number of Oxytocin parallel dimer?

The CAS registry number of Oxytocin parallel dimer is 19645-28-4.

What is the molecular formula and weight of Oxytocin parallel dimer?

The molecular formula of Oxytocin parallel dimer is C86H132N24O24S4 and its molar mass is 2,014.41 g/mol.

Is Oxytocin parallel dimer hazardous?

No GHS hazard classification for Oxytocin parallel dimer 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 Oxytocin parallel dimer?

Oxytocin parallel dimer 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 Oxytocin parallel dimer?

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What is the price of Oxytocin parallel dimer?

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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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