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Heterocyclic compounds

Aprosulate

Also known as N,N'-Trimethylenebis(actobionamide) hexadecakis sulfate (ester), N,N'-Trimethylenebis(actobionamide) hexadecakis sulphate (ester), D-Gluconamide, N,N'-1,3-propanediylbis(4-O-(2,3,4,6-tetra-O-sulfo-beta-D-galactopyranosyl))-, 2,2',3,3',5,5',6,6'-octakis(hydrogen sulfate), hexadecasodium salt

CAS 123123-68-2Formula C27H50N2O70S16Molar mass 2,035.71 g/mol
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Aprosulate chemical structure, C27H50N2O70S16, CAS 123123-68-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
123123-68-2
Formula
C27H50N2O70S16
Molar mass
2,035.71 g/mol
HS code
293299
Category
Heterocyclic compounds

What is Aprosulate?

Plain description, key identifiers and synonyms

Aprosulate is a synthetic sulfated bis(lactobionic acid amide) derivative and heparin analogue with anticoagulant activity. Aprosulate is made up of two fully sulfated lactobionic acid moieties with a diamine spacer via two amide bonds. This agent inhibits thrombin by antagonizing heparin cofactor II (HCII) and thus prevents thrombin-induced platelet aggregation. It prolongs clotting time.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(1S,2R,3R)-1-[(1R)-2-oxo-1-sulfooxy-2-[3-[[(2R,3S,4R,5R)-2,3,5,6-tetrasulfooxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trisulfooxy-6-(sulfooxymethyl)oxan-2-yl]oxyhexanoyl]amino]propylamino]ethyl]-3,4-disulfooxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trisulfooxy-6-(sulfooxymethyl)oxan-2-yl]oxybutyl] hydrogen sulfate
CAS number
123123-68-2 CAS number cross-checked
Molecular formula
C27H50N2O70S16
UNII
X94B38CQOM
InChIKey
KSXQTGMWWMBCIP-VXMGFIRPSA-N
InChI
InChI=1S/C27H50N2O70S16/c30-24(20(96-112(68,69)70)16(92-108(56,57)58)12(10(88-104(44,45)46)6-82-102(38,39)40)86-26-22(98-114(74,75)76)18(94-110(62,63)64)14(90-106(50,51)52)8(84-26)4-80-100(32,33)34)28-2-1-3-29-25(31)21(97-113(71,72)73)17(93-109(59,60)61)13(11(89-105(47,48)49)7-83-103(41,42)43)87-27-23(99-115(77,78)79)19(95-111(65,66)67)15(91-107(53,54)55)9(85-27)5-81-101(35,36)37/h8-23,26-27H,1-7H2,(H,28,30)(H,29,31)(H,32,33,34)(H,35,36,37)(H,38,39,40)(H,41,42,43)(H,44,45,46)(H,47,48,49)(H,50,51,52)(H,53,54,55)(H,56,57,58)(H,59,60,61)(H,62,63,64)(H,65,66,67)(H,68,69,70)(H,71,72,73)(H,74,75,76)(H,77,78,79)/t8-,9-,10-,11-,12-,13-,14+,15+,16+,17+,18+,19+,20-,21-,22-,23-,26+,27+/m1/s1
Canonical SMILES
O=C(NCCCNC(=O)C(OS(=O)(=O)O)C(OS(=O)(=O)O)C(OC1OC(COS(=O)(=O)O)C(OS(=O)(=O)O)C(OS(=O)(=O)O)C1OS(=O)(=O)O)C(COS(=O)(=O)O)OS(=O)(=O)O)C(OS(=O)(=O)O)C(OS(=O)(=O)O)C(OC1OC(COS(=O)(=O)O)C(OS(=O)(=O)O)C(OS(=O)(=O)O)C1OS(=O)(=O)O)C(COS(=O)(=O)O)OS(=O)(=O)O
Isomeric SMILES
C(CNC(=O)[C@@H]([C@H]([C@@H]([C@@H](COS(=O)(=O)O)OS(=O)(=O)O)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)COS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)CNC(=O)[C@@H]([C@H]([C@@H]([C@@H](COS(=O)(=O)O)OS(=O)(=O)O)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)COS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O

Synonyms

  • N,N'-Trimethylenebis(actobionamide) hexadecakis sulfate (ester)
  • N,N'-Trimethylenebis(actobionamide) hexadecakis sulphate (ester)
  • D-Gluconamide, N,N'-1,3-propanediylbis(4-O-(2,3,4,6-tetra-O-sulfo-beta-D-galactopyranosyl))-, 2,2',3,3',5,5',6,6'-octakis(hydrogen sulfate), hexadecasodium salt

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
2,035.71 g/molcalc.
Exact mass
2,033.5946 Dacalc.
LogP (octanol/water)
-14.64calc.
Topological polar surface area
1,113 Ųcalc.
Hydrogen bond donors
18calc.
Hydrogen bond acceptors
54calc.
Rotatable bonds
52calc.
Heavy atoms
115calc.
Rings
2calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.93calc.
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=C(CCCOC1CCCCO1)NCCCNC(=O)CCCOC1CCCCO1

O=C(CCCOC1CCCCO1)NCCCNC(=O)CCCOC1CCCCO1

2 rings, 29 atoms.

1 other chemical 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.

Aprosulate suppliers

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Aprosulate 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

Pharmacological actions

  • Anticoagulants
  • Fibrinolytic Agents

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 Aprosulate is traded under.

HS 2932.99Indicative HS code

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

World exports in 2024
$3.81B
+10.3% vs 2023, imports $7.05B
2019 to 2024
Top exporters
  1. China28.9%
  2. Switzerland * partner reported12.7%
  3. Germany7.8%
Top importers
  1. United States49.7%
  2. China11.9%
  3. India * partner reported3.3%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Aprosulate?

Aprosulate is a synthetic sulfated bis(lactobionic acid amide) derivative and heparin analogue with anticoagulant activity. Aprosulate is made up of two fully sulfated lactobionic acid moieties with a diamine spacer via two amide bonds.

What is the CAS number of Aprosulate?

The CAS registry number of Aprosulate is 123123-68-2.

What is the molecular formula and weight of Aprosulate?

The molecular formula of Aprosulate is C27H50N2O70S16 and its molar mass is 2,035.71 g/mol.

What is Aprosulate used for?

Known uses and roles of Aprosulate include anticoagulants and fibrinolytic agents.

Is Aprosulate hazardous?

No GHS hazard classification for Aprosulate 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 Aprosulate?

Aprosulate is usually classified under HS code 293299 (Heterocyclic compounds with oxygen hetero-atom(s) only, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Aprosulate?

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What is the price of Aprosulate?

Suppliers quote Aprosulate 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

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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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