CompoundList
Sign in
Steroids and sterols

Squalamine dilactate

Also known as Cholestane-7,24-diol, 3-((3-((4-aminobutyl)amino)propyl)amino)-, 24-(hydrogen sulfate), (3beta,5alpha,7alpha,24r)-, (2s)-2-hydroxypropanoate (1:2) (salt), (2S)-2-Hydroxypropanoic acid--(24R)-3beta-({3-[(4-aminobutyl)amino]propyl}amino)-7alpha-hydroxy-5alpha-cholestan-24-yl hydrogen sulfate (2/1)

CAS 913698-86-9Formula C40H77N3O11SMolar mass 808.13 g/mol
Get quotes Safety data
Squalamine dilactate chemical structure, C40H77N3O11S, CAS 913698-86-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
913698-86-9
Formula
C40H77N3O11S
Molar mass
808.13 g/mol
HS code
292219
Category
Steroids and sterols

What is Squalamine dilactate?

Plain description, key identifiers and synonyms

Squalamine dilactate is a chemical substance with the molecular formula C40H77N3O11S and a molar mass of 808.13 g/mol. Its CAS registry number is 913698-86-9. The IUPAC name is [(3R,6R)-6-[(3S,5R,7R,8R,9S,10S,13R,14S,17R)-3-[3-(4-aminobutylamino)propylamino]-7-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptan-3-yl] hydrogen sulfate, bis((2S)-2-hydroxypropanoic acid).

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(3R,6R)-6-[(3S,5R,7R,8R,9S,10S,13R,14S,17R)-3-[3-(4-aminobutylamino)propylamino]-7-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptan-3-yl] hydrogen sulfate, bis((2S)-2-hydroxypropanoic acid)
CAS number
913698-86-9 CAS number cross-checked
Molecular formula
C40H77N3O11S
UNII
9PXA12C19U
InChIKey
JLRNRFKNAOFCFV-CXVCEABUSA-N
InChI
InChI=1S/C34H65N3O5S.2C3H6O3/c1-23(2)31(42-43(39,40)41)12-9-24(3)27-10-11-28-32-29(14-16-34(27,28)5)33(4)15-13-26(21-25(33)22-30(32)38)37-20-8-19-36-18-7-6-17-35;2*1-2(4)3(5)6/h23-32,36-38H,6-22,35H2,1-5H3,(H,39,40,41);2*2,4H,1H3,(H,5,6)/t24-,25-,26+,27-,28+,29+,30-,31-,32+,33+,34-;2*2-/m100/s1
Canonical SMILES
CC(C)C(CCC(C)C1CCC2C3C(O)CC4CC(NCCCNCCCCN)CCC4(C)C3CCC12C)OS(=O)(=O)O.CC(O)C(=O)O.CC(O)C(=O)O
Isomeric SMILES
C[C@H](CC[C@H](C(C)C)OS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@@H]4[C@@]3(CC[C@@H](C4)NCCCNCCCCN)C)O)C.C[C@@H](C(=O)O)O.C[C@@H](C(=O)O)O

Synonyms

  • Cholestane-7,24-diol, 3-((3-((4-aminobutyl)amino)propyl)amino)-, 24-(hydrogen sulfate), (3beta,5alpha,7alpha,24r)-, (2s)-2-hydroxypropanoate (1:2) (salt)
  • (2S)-2-Hydroxypropanoic acid--(24R)-3beta-({3-[(4-aminobutyl)amino]propyl}amino)-7alpha-hydroxy-5alpha-cholestan-24-yl hydrogen sulfate (2/1)

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
808.13 g/molcalc.
Exact mass
807.5279 Dacalc.
LogP (octanol/water)
4.46calc.
Topological polar surface area
249 Ųcalc.
Hydrogen bond donors
9calc.
Hydrogen bond acceptors
11calc.
Rotatable bonds
18calc.
Heavy atoms
55calc.
Rings
4calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.95calc.
Formal charge
0calc.
Stereocentres
13calc.
Components
3calc.
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, C1CCC2C(C1)CCC1C3CCCC3CCC21

C1CCC2C(C1)CCC1C3CCCC3CCC21

4 rings, 17 atoms.

1,694 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.

Squalamine dilactate suppliers

Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings

No supplier listings yet

Post one free request and suppliers who make or trade Squalamine dilactate can send you quotes. Your contact details stay private until you accept a quote.

Request quotesSell this chemical

Squalamine dilactate price

Indicative price range per kg from live supplier offers

No published prices right now

Suppliers quote this chemical on request. Send one free request and compare quotes side by side.

Get latest price

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 Squalamine dilactate is traded under.

HS 2922.19Indicative HS code

Amino-alcohols, other than those containing more than one kind of oxygen function, their…

World exports in 2024
$2.2B
−4.7% vs 2023, imports $2.27B
2019 to 2024
Top exporters
  1. China21.7%
  2. Germany17.3%
  3. United States15.6%
Top importers
  1. India * partner reported11.0%
  2. United States9.0%
  3. Germany7.2%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

Quick answers about Squalamine dilactate, based on the data on this page

What is Squalamine dilactate?

Squalamine dilactate is a chemical substance with the molecular formula C40H77N3O11S and a molar mass of 808.13 g/mol. Its CAS registry number is 913698-86-9.

What is the CAS number of Squalamine dilactate?

The CAS registry number of Squalamine dilactate is 913698-86-9.

What is the molecular formula and weight of Squalamine dilactate?

The molecular formula of Squalamine dilactate is C40H77N3O11S and its molar mass is 808.13 g/mol.

Is Squalamine dilactate hazardous?

No GHS hazard classification for Squalamine dilactate 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 Squalamine dilactate?

Squalamine dilactate is usually classified under HS code 292219 (Amino-alcohols, other than those containing more than one kind of oxygen function, their…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Squalamine dilactate?

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

What is the price of Squalamine dilactate?

Suppliers quote Squalamine dilactate 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 Squalamine dilactate

Get quotes for Squalamine dilactate

Post one free request with your grade, quantity and destination. Matching suppliers send quotes you can compare side by side.
Post a request Sell Squalamine dilactate
Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
Embed this structure on your websiteShow code

Paste this code into your page to show the 2D structure of Squalamine dilactate with a 3D view, its CAS number where known and a link back to this page. Free to use with the link kept.

<iframe src="https://www.compoundlist.com/embed/structure/squalamine-dilactate-913698-86-9" title="Squalamine dilactate structure on CompoundList" width="360" height="420" style="border:1px solid #E7E2DA;border-radius:12px;max-width:100%" loading="lazy" referrerpolicy="strict-origin-when-cross-origin"></iframe>
Preview the embed

Explore more in Steroids and sterols or HS code 292219

Price on request
Free quotes, contact stays private
Get quotes