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Heterocyclic compounds

Chrystepin CH

Also known as Crystepin CH

CAS 80434-87-3Formula C82H92ClN9O18SMolar mass 1,559.20 g/mol
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Chrystepin CH chemical structure, C82H92ClN9O18S, CAS 80434-87-3
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
80434-87-3
Formula
C82H92ClN9O18S
Molar mass
1,559.20 g/mol
HS code
293499
Category
Heterocyclic compounds

What is Chrystepin CH?

Plain description, key identifiers and synonyms

Chrystepin CH is a chemical substance with the molecular formula C82H92ClN9O18S and a molar mass of 1,559.20 g/mol. Its CAS registry number is 80434-87-3. The IUPAC name is (6aR,9R,10aR)-N-[(1S,2S,4R,7S)-7-benzyl-2-hydroxy-5,8-dioxo-4-propan-2-yl-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-chloro-5-(1-hydroxy-3-oxo-2H-isoindol-1-yl)benzenesulfonamide, methyl (1R,15S,17R,18R,19S,20S)-6,18-dimethoxy-17-(3,4,5-trimethoxybenzoyl)oxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(6aR,9R,10aR)-N-[(1S,2S,4R,7S)-7-benzyl-2-hydroxy-5,8-dioxo-4-propan-2-yl-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-chloro-5-(1-hydroxy-3-oxo-2H-isoindol-1-yl)benzenesulfonamide, methyl (1R,15S,17R,18R,19S,20S)-6,18-dimethoxy-17-(3,4,5-trimethoxybenzoyl)oxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate
CAS number
80434-87-3
Molecular formula
C82H92ClN9O18S
InChIKey
YZLHKGBLHFSVAR-LLDSLTALSA-N
InChI
InChI=1S/C35H41N5O5.C33H40N2O9.C14H11ClN2O4S/c1-20(2)34(37-31(41)23-16-25-24-11-7-12-26-30(24)22(18-36-26)17-27(25)38(3)19-23)33(43)40-28(15-21-9-5-4-6-10-21)32(42)39-14-8-13-29(39)35(40,44)45-34;1-38-19-7-8-20-21-9-10-35-16-18-13-27(44-32(36)17-11-25(39-2)30(41-4)26(12-17)40-3)31(42-5)28(33(37)43-6)22(18)15-24(35)29(21)34-23(20)14-19;15-11-6-5-8(7-12(11)22(16,20)21)14(19)10-4-2-1-3-9(10)13(18)17-14/h4-7,9-12,18,20,23,25,27-29,36,44H,8,13-17,19H2,1-3H3,(H,37,41);7-8,11-12,14,18,22,24,27-28,31,34H,9-10,13,15-16H2,1-6H3;1-7,19H,(H,17,18)(H2,16,20,21)/t23-,25-,27-,28+,29+,34-,35+;18-,22+,24-,27-,28+,31+;/m11./s1
Canonical SMILES
CC(C)C1(NC(=O)C2CC3c4cccc5[nH]cc(c45)CC3N(C)C2)OC2(O)C3CCCN3C(=O)C(Cc3ccccc3)N2C1=O.COC(=O)C1C2CC3c4[nH]c5cc(OC)ccc5c4CCN3CC2CC(OC(=O)c2cc(OC)c(OC)c(OC)c2)C1OC.NS(=O)(=O)c1cc(C2(O)NC(=O)c3ccccc32)ccc1Cl
Isomeric SMILES
CC(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.CO[C@H]1[C@@H](C[C@@H]2CN3CCC4=C([C@H]3C[C@@H]2[C@@H]1C(=O)OC)NC5=C4C=CC(=C5)OC)OC(=O)C6=CC(=C(C(=C6)OC)OC)OC.C1=CC=C2C(=C1)C(=O)NC2(C3=CC(=C(C=C3)Cl)S(=O)(=O)N)O

Synonyms

  • Crystepin CH

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
1,559.20 g/molcalc.
Exact mass
1,557.597 Dacalc.
LogP (octanol/water)
7.81calc.
Topological polar surface area
345.5 Ųcalc.
Hydrogen bond donors
7calc.
Hydrogen bond acceptors
20calc.
Rotatable bonds
15calc.
Heavy atoms
111calc.
Rings
17calc.
Aromatic rings
8calc.
Fraction sp3 carbons
0.44calc.
Formal charge
0calc.
Stereocentres
14calc.
Components
3calc.
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.

Chrystepin CH suppliers

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

Frequently asked questions

Quick answers about Chrystepin CH, based on the data on this page

What is Chrystepin CH?

Chrystepin CH is a chemical substance with the molecular formula C82H92ClN9O18S and a molar mass of 1,559.20 g/mol. Its CAS registry number is 80434-87-3.

What is the CAS number of Chrystepin CH?

The CAS registry number of Chrystepin CH is 80434-87-3.

What is the molecular formula and weight of Chrystepin CH?

The molecular formula of Chrystepin CH is C82H92ClN9O18S and its molar mass is 1,559.20 g/mol.

Is Chrystepin CH hazardous?

No GHS hazard classification for Chrystepin CH 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 Chrystepin CH?

Chrystepin CH 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 Chrystepin CH?

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

What is the price of Chrystepin CH?

Suppliers quote Chrystepin CH 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 Chrystepin CH

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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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