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Aliphatic and alicyclic building blocks

Hepsulfam

Also known as 1,7-Heptanediol disulfamate, Sulfamic acid, 1,7-heptanediyl ester, sulfamic acid 1,7-heptanediyl ester

CAS 96892-57-8Formula C7H18N2O6S2Molar mass 290.36 g/mol
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Hepsulfam chemical structure, C7H18N2O6S2, CAS 96892-57-8
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
96892-57-8
Formula
C7H18N2O6S2
Molar mass
290.36 g/mol
Solubility
Water 3.6 - 2.7 (mg/mL)
HS code
294200
Category
Aliphatic and alicyclic building blocks

What is Hepsulfam?

Plain description, key identifiers and synonyms

Hepsulfam is a bisulfamic ester which is similar in structure to busulfan and belongs to the family of drugs known as alkylsulfonate alkylating agents. Hepsulfam forms covalent linkages with nucleophilic centers in DNA, resulting in depurination, base miscoding, strand scission, DNA-DNA and DNA-protein cross-linking, and cytotoxicity. (NCI04)

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
7-sulfamoyloxyheptyl sulfamate
CAS number
96892-57-8 CAS number cross-checked
Molecular formula
C7H18N2O6S2
UNII
971DU2GQ51
MDL number
MFCD00869336
InChIKey
GOJJWDOZNKBUSR-UHFFFAOYSA-N
InChI
InChI=1S/C7H18N2O6S2/c8-16(10,11)14-6-4-2-1-3-5-7-15-17(9,12)13/h1-7H2,(H2,8,10,11)(H2,9,12,13)
SMILES (canonical and isomeric)
C(CCCOS(=O)(=O)N)CCCOS(=O)(=O)N

Synonyms

  • 1,7-Heptanediol disulfamate
  • Sulfamic acid, 1,7-heptanediyl ester
  • sulfamic acid 1,7-heptanediyl ester
  • 1,7-heptanediyl disulfamate
  • 1,7-Heptanediyl Ester Sulfamic Acid
  • 7-sulfamoyloxyheptyl sulfamate
  • heptane-1,7-diyl bis(sulfamate)
  • Sulfamic acid 7-sulfamoyloxy-heptyl ester
  • Sulfamic acid, S,S'-1,7-heptanediyl ester
  • heptane-1,7-diyl disulfamate
  • 7-(Sulfamoyloxy)heptyl sulfamate
  • Bissulfamideoic acid 1,7-heptanediyl ester
  • Bis(amidosulfuric acid)1,7-heptanediyl ester
  • 1,7-Heptanediol bissulfamate
  • 1,7-Heptanediyl sulfamate
  • Sulfamic acid,7-heptanediyl ester

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

Solubility
Water 3.6 - 2.7 (mg/mL)exp.

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
290.36 g/molcalc.
Exact mass
290.0606 Dacalc.
LogP (octanol/water)
-0.62calc.
Topological polar surface area
138.8 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
10calc.
Heavy atoms
17calc.
Rings
0calc.
Aromatic rings
0calc.
Fraction sp3 carbons
1calc.
Formal charge
0calc.
Stereocentres
0calc.
Lipinski rule of five
Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

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.

Hepsulfam suppliers

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Hepsulfam 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

  • Alkylating 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 Hepsulfam is traded under.

HS 2942.00Indicative HS code

Organic compounds not elsewhere classified in chapter 29

World exports in 2024
$589M
−43.5% vs 2023, imports $614M
2019 to 2024
Top exporters
  1. India * partner reported20.7%
  2. United States18.6%
  3. Italy10.4%
Top importers
  1. United States15.1%
  2. Italy6.7%
  3. Japan5.3%

* Partner reported figures, a lower bound.

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

The HS code shown for Hepsulfam is indicative (it is known at chapter level only). Confirm the classification with your customs broker before shipping.

Frequently asked questions

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

What is Hepsulfam?

Hepsulfam is a bisulfamic ester which is similar in structure to busulfan and belongs to the family of drugs known as alkylsulfonate alkylating agents.

What is the CAS number of Hepsulfam?

The CAS registry number of Hepsulfam is 96892-57-8.

What is the molecular formula and weight of Hepsulfam?

The molecular formula of Hepsulfam is C7H18N2O6S2 and its molar mass is 290.36 g/mol.

What is Hepsulfam used for?

Known uses and roles of Hepsulfam include building blocks in research and laboratory and alkylating agents.

Is Hepsulfam hazardous?

No GHS hazard classification for Hepsulfam 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 Hepsulfam?

Hepsulfam is usually classified under HS code 294200 (XIII. OTHER ORGANIC COMPOUNDS, other organic compounds). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Hepsulfam?

Post a free request on CompoundList and suppliers of Hepsulfam will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Hepsulfam?

Suppliers quote Hepsulfam 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 Hepsulfam

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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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