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Heterocyclic compounds

Silentan

CAS 79084-81-4Formula C103H111ClN16O23Molar mass 1,976.56 g/mol
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Silentan chemical structure, C103H111ClN16O23, CAS 79084-81-4
2D chemical structure

Key facts

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All properties
CAS number
79084-81-4
Formula
C103H111ClN16O23
Molar mass
1,976.56 g/mol
HS code
293499
Category
Heterocyclic compounds

What is Silentan?

Plain description, key identifiers and synonyms

Silentan is a chemical substance with the molecular formula C103H111ClN16O23 and a molar mass of 1,976.56 g/mol. Its CAS registry number is 79084-81-4. The IUPAC name is bis((6aR,9R,10aR)-N-[(1S,2S,4R,7S)-7-benzyl-2-hydroxy-4-methyl-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide), 2-acetyloxybenzoic acid, 7-chloro-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one, (2S,3S)-2,3-dihydroxybutanedioic acid, 1,3,7-trimethylpurine-2,6-dione.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
bis((6aR,9R,10aR)-N-[(1S,2S,4R,7S)-7-benzyl-2-hydroxy-4-methyl-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide), 2-acetyloxybenzoic acid, 7-chloro-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one, (2S,3S)-2,3-dihydroxybutanedioic acid, 1,3,7-trimethylpurine-2,6-dione
CAS number
79084-81-4
Molecular formula
C103H111ClN16O23
InChIKey
ZTNPZRFNLXIVKR-YXFIHQFASA-N
InChI
InChI=1S/2C33H37N5O5.C16H13ClN2O.C9H8O4.C8H10N4O2.C4H6O6/c2*1-32(35-29(39)21-15-23-22-10-6-11-24-28(22)20(17-34-24)16-25(23)36(2)18-21)31(41)38-26(14-19-8-4-3-5-9-19)30(40)37-13-7-12-27(37)33(38,42)43-32;1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11;1-6(10)13-8-5-3-2-4-7(8)9(11)12;1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2;5-1(3(7)8)2(6)4(9)10/h2*3-6,8-11,17,21,23,25-27,34,42H,7,12-16,18H2,1-2H3,(H,35,39);2-9H,10H2,1H3;2-5H,1H3,(H,11,12);4H,1-3H3;1-2,5-6H,(H,7,8)(H,9,10)/t2*21-,23-,25-,26+,27+,32-,33+;;;;1-,2-/m11...0/s1
Canonical SMILES
CC(=O)Oc1ccccc1C(=O)O.CN1C(=O)CN=C(c2ccccc2)c2cc(Cl)ccc21.CN1CC(C(=O)NC2(C)OC3(O)C4CCCN4C(=O)C(Cc4ccccc4)N3C2=O)CC2c3cccc4[nH]cc(c34)CC21.CN1CC(C(=O)NC2(C)OC3(O)C4CCCN4C(=O)C(Cc4ccccc4)N3C2=O)CC2c3cccc4[nH]cc(c34)CC21.Cn1c(=O)c2c(ncn2C)n(C)c1=O.O=C(O)C(O)C(O)C(=O)O
Isomeric SMILES
CC(=O)OC1=CC=CC=C1C(=O)O.C[C@@]1(C(=O)N2[C@H](C(=O)N3CCC[C@H]3[C@@]2(O1)O)CC4=CC=CC=C4)NC(=O)[C@@H]5C[C@H]6[C@@H](CC7=CNC8=CC=CC6=C78)N(C5)C.C[C@@]1(C(=O)N2[C@H](C(=O)N3CCC[C@H]3[C@@]2(O1)O)CC4=CC=CC=C4)NC(=O)[C@@H]5C[C@H]6[C@@H](CC7=CNC8=CC=CC6=C78)N(C5)C.CN1C=NC2=C1C(=O)N(C(=O)N2C)C.CN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3.[C@H]([C@@H](C(=O)O)O)(C(=O)O)O

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
1,976.56 g/molcalc.
Exact mass
1,974.7697 Dacalc.
LogP (octanol/water)
5.47calc.
Topological polar surface area
509.6 Ųcalc.
Hydrogen bond donors
11calc.
Hydrogen bond acceptors
24calc.
Rotatable bonds
14calc.
Heavy atoms
143calc.
Rings
22calc.
Aromatic rings
11calc.
Fraction sp3 carbons
0.39calc.
Formal charge
0calc.
Stereocentres
16calc.
Components
6calc.
Lipinski rule of five
Fails (4 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(NC1OC2C3CCCN3C(=O)C(Cc3ccccc3)N2C1=O)C1CNC2Cc3c[nH]c4cccc(c34)C2C1

O=C(NC1OC2C3CCCN3C(=O)C(Cc3ccccc3)N2C1=O)C1CNC2Cc3c[nH]c4cccc(c34)C2C1

8 rings, 40 atoms.

31 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.

Silentan suppliers

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Silentan 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

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

Frequently asked questions

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

What is Silentan?

Silentan is a chemical substance with the molecular formula C103H111ClN16O23 and a molar mass of 1,976.56 g/mol. Its CAS registry number is 79084-81-4.

What is the CAS number of Silentan?

The CAS registry number of Silentan is 79084-81-4.

What is the molecular formula and weight of Silentan?

The molecular formula of Silentan is C103H111ClN16O23 and its molar mass is 1,976.56 g/mol.

Is Silentan hazardous?

No GHS hazard classification for Silentan 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 Silentan?

Silentan 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 Silentan?

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What is the price of Silentan?

Suppliers quote Silentan 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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