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Impurities and reference standards

Daptomycin impurity 45

Also known as Daptomycin 6-L-Lysine

CAS 2440130-73-2Formula C73H103N17O26Molar mass 1,634.72 g/mol
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Daptomycin impurity 45 chemical structure, C73H103N17O26, CAS 2440130-73-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
2440130-73-2
Formula
C73H103N17O26
Molar mass
1,634.72 g/mol
HS code
293499
Category
Impurities and reference standards

What is Daptomycin impurity 45?

Plain description, key identifiers and synonyms

Daptomycin impurity 45 is a chemical substance with the molecular formula C73H103N17O26 and a molar mass of 1,634.72 g/mol. Its CAS registry number is 2440130-73-2. The IUPAC name is (3S)-4-[[(3S,6S,9R,15S,18R,21S,24S,30S,31R)-24-(4-aminobutyl)-3-[2-(2-aminophenyl)-2-oxoethyl]-15,21-bis(carboxymethyl)-6-[(2R)-1-carboxypropan-2-yl]-9-(hydroxymethyl)-18,31-dimethyl-2,5,8,11,14,17,20,23,26,29-decaoxo-1-oxa-4,7,10,13,16,19,22,25,28-nonazacyclohentriacont-30-yl]amino]-3-[[(2R)-4-amino-2-[[(2S)-2-(decanoylamino)-3-(1H-indol-3-yl)propanoyl]amino]-4-oxobutanoyl]amino]-4-oxobutanoic acid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(3S)-4-[[(3S,6S,9R,15S,18R,21S,24S,30S,31R)-24-(4-aminobutyl)-3-[2-(2-aminophenyl)-2-oxoethyl]-15,21-bis(carboxymethyl)-6-[(2R)-1-carboxypropan-2-yl]-9-(hydroxymethyl)-18,31-dimethyl-2,5,8,11,14,17,20,23,26,29-decaoxo-1-oxa-4,7,10,13,16,19,22,25,28-nonazacyclohentriacont-30-yl]amino]-3-[[(2R)-4-amino-2-[[(2S)-2-(decanoylamino)-3-(1H-indol-3-yl)propanoyl]amino]-4-oxobutanoyl]amino]-4-oxobutanoic acid
CAS number
2440130-73-2
Molecular formula
C73H103N17O26
UNII
26R9L2K8L8
InChIKey
IETYAQCECRKGCT-AMHMBKJNSA-N
InChI
InChI=1S/C73H103N17O26/c1-5-6-7-8-9-10-11-23-54(94)82-45(26-39-32-77-43-21-15-13-18-40(39)43)67(109)85-46(28-53(76)93)68(110)87-49(31-60(103)104)69(111)90-62-38(4)116-73(115)50(27-52(92)41-19-12-14-20-42(41)75)88-72(114)61(36(2)25-57(97)98)89-70(112)51(35-91)83-56(96)33-78-64(106)47(29-58(99)100)84-63(105)37(3)80-66(108)48(30-59(101)102)86-65(107)44(22-16-17-24-74)81-55(95)34-79-71(62)113/h12-15,18-21,32,36-38,44-51,61-62,77,91H,5-11,16-17,22-31,33-35,74-75H2,1-4H3,(H2,76,93)(H,78,106)(H,79,113)(H,80,108)(H,81,95)(H,82,94)(H,83,96)(H,84,105)(H,85,109)(H,86,107)(H,87,110)(H,88,114)(H,89,112)(H,90,111)(H,97,98)(H,99,100)(H,101,102)(H,103,104)/t36-,37-,38-,44+,45+,46-,47+,48+,49+,50+,51-,61+,62+/m1/s1
Canonical SMILES
CCCCCCCCCC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CC(N)=O)C(=O)NC(CC(=O)O)C(=O)NC1C(=O)NCC(=O)NC(CCCCN)C(=O)NC(CC(=O)O)C(=O)NC(C)C(=O)NC(CC(=O)O)C(=O)NCC(=O)NC(CO)C(=O)NC(C(C)CC(=O)O)C(=O)NC(CC(=O)c2ccccc2N)C(=O)OC1C
Isomeric SMILES
CCCCCCCCCC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@H](CC(=O)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H]3[C@H](OC(=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)CNC3=O)CCCCN)CC(=O)O)C)CC(=O)O)CO)[C@H](C)CC(=O)O)CC(=O)C4=CC=CC=C4N)C

Synonyms

  • Daptomycin 6-L-Lysine

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
1,634.72 g/molcalc.
Exact mass
1,633.726 Dacalc.
LogP (octanol/water)
-5.23calc.
Topological polar surface area
702 Ųcalc.
Hydrogen bond donors
22calc.
Hydrogen bond acceptors
24calc.
Rotatable bonds
36calc.
Heavy atoms
116calc.
Rings
4calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.53calc.
Formal charge
0calc.
Stereocentres
13calc.
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=C(CCc1c[nH]c2ccccc12)NCC(=O)NCC(=O)NC1COC(=O)C(CC(=O)c2ccccc2)NC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC1=O

O=C(CCc1c[nH]c2ccccc12)NCC(=O)NCC(=O)NC1COC(=O)C(CC(=O)c2ccccc2)NC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC1=O

4 rings, 72 atoms.

12 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.

Daptomycin impurity 45 suppliers

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Daptomycin impurity 45 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 Daptomycin impurity 45 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 Daptomycin impurity 45 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Daptomycin impurity 45, based on the data on this page

What is Daptomycin impurity 45?

Daptomycin impurity 45 is a chemical substance with the molecular formula C73H103N17O26 and a molar mass of 1,634.72 g/mol. Its CAS registry number is 2440130-73-2.

What is the CAS number of Daptomycin impurity 45?

The CAS registry number of Daptomycin impurity 45 is 2440130-73-2.

What is the molecular formula and weight of Daptomycin impurity 45?

The molecular formula of Daptomycin impurity 45 is C73H103N17O26 and its molar mass is 1,634.72 g/mol.

Is Daptomycin impurity 45 hazardous?

No GHS hazard classification for Daptomycin impurity 45 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 Daptomycin impurity 45?

Daptomycin impurity 45 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 Daptomycin impurity 45?

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What is the price of Daptomycin impurity 45?

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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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