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Heterocyclic compounds

Npc76529

Also known as hemin, Chlorohemin, hemin chloride

CAS 16009-13-5Formula C34H32ClFeN4O4Molar mass 651.95 g/mol
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Npc76529 chemical structure, C34H32ClFeN4O4, CAS 16009-13-5
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
16009-13-5
Formula
C34H32ClFeN4O4
Molar mass
651.95 g/mol
HS code
293399
Category
Heterocyclic compounds

What is Npc76529?

Plain description, key identifiers and synonyms

Npc76529 is a chemical substance with the molecular formula C34H32ClFeN4O4 and a molar mass of 651.95 g/mol. Its CAS registry number is 16009-13-5. The IUPAC name is 3-[18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethylporphyrin-21,24-diid-2-yl]propanoic acid, iron(3+), chloride.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
3-[18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethylporphyrin-21,24-diid-2-yl]propanoic acid, iron(3+), chloride
CAS number
16009-13-5
Molecular formula
C34H32ClFeN4O4
UNII
743LRP9S7N
MDL number
MFCD00010726
InChIKey
BTIJJDXEELBZFS-UHFFFAOYSA-K
InChI
InChI=1S/C34H34N4O4.ClH.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);1H;/q;;+3/p-3
SMILES (canonical and isomeric)
CC1=C(C2=CC3=C(C(=C([N-]3)C=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C=C1[N-]2)C)C=C)C)C=C)C)CCC(=O)O)CCC(=O)O.[Cl-].[Fe+3]

Synonyms

  • hemin
  • Chlorohemin
  • hemin chloride
  • Panhematin
  • Hematin chloride
  • Ferriprotoporphyrin chloride
  • Chloro(protoporphyrinato)iron(III)
  • 3-[18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethylporphyrin-21,24-diid-2-yl]propanoic acid, iron(3+), chloride
  • Ferriprotoporphyrin IX chloride
  • Chloroprotoporphyrin IX iron (III)
  • Hemin (Ferriprotoporphyrin IX chloride)
  • Ferrate(2-), chloro(7,12-diethenyl-3,8,13,17-tetramethyl-21H,23H-porphine-2,18-dipropanoato(4-)-N21,N22,N23,N24)-, dihydrogen

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
651.95 g/molcalc.
Exact mass
651.1461 Dacalc.
LogP (octanol/water)
3.46calc.
Topological polar surface area
128.6 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
8calc.
Heavy atoms
44calc.
Rings
5calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.24calc.
Formal charge
0calc.
Stereocentres
0calc.
Components
3calc.
Lipinski rule of five
Passes (1 violation)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, C1=Cc2cc3ccc(cc4ccc(cc5nc(cc1n2)C=C5)[nH]4)[nH]3

C1=Cc2cc3ccc(cc4ccc(cc5nc(cc1n2)C=C5)[nH]4)[nH]3

5 rings, 24 atoms, the Porphyrin ring system.

211 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.

Npc76529 suppliers

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All 10 suppliers
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Where suppliers are based

10 suppliers in 4 countries

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Npc76529 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

Functional uses

  • Softener and conditioner

Regulatory status

Inventories, regulations and trade controls that list this substance

United States

  • TSCA inventory (USA)
    Status: Active in US commerce

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Npc76529 is traded under.

HS 2933.99Indicative HS code

Heterocyclic compounds with nitrogen hetero-atom(s) only, other

World exports in 2024
$12.1B
−31.0% vs 2023, imports $28.8B
2019 to 2024
Top exporters
  1. China30.5%
  2. India * partner reported16.3%
  3. Ireland9.0%
Top importers
  1. Slovenia31.7%
  2. Italy24.2%
  3. United States5.0%

* Partner reported figures, a lower bound.

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

The HS code shown for Npc76529 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Npc76529, based on the data on this page

What is Npc76529?

Npc76529 is a chemical substance with the molecular formula C34H32ClFeN4O4 and a molar mass of 651.95 g/mol. Its CAS registry number is 16009-13-5. The IUPAC name is 3-[18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethylporphyrin-21,24-diid-2-yl]propanoic acid, iron(3+), chloride.

What is the CAS number of Npc76529?

The CAS registry number of Npc76529 is 16009-13-5.

What is the molecular formula and weight of Npc76529?

The molecular formula of Npc76529 is C34H32ClFeN4O4 and its molar mass is 651.95 g/mol.

What is Npc76529 used for?

Known uses and roles of Npc76529 include softener and conditioner.

Is Npc76529 hazardous?

No GHS hazard classification for Npc76529 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 Npc76529?

Npc76529 is usually classified under HS code 293399 (Heterocyclic compounds with nitrogen hetero-atom(s) only, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Npc76529?

CompoundList lists 10 suppliers of Npc76529 in China, United States, Germany and Ireland. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Npc76529?

Suppliers quote Npc76529 on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

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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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