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Screening compounds

Orb3210351

CAS 77790-29-5Formula C19H18ClNO8Molar mass 423.81 g/mol
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Orb3210351 chemical structure, C19H18ClNO8, CAS 77790-29-5
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
77790-29-5
Formula
C19H18ClNO8
Molar mass
423.81 g/mol
HS code
293499
Category
Screening compounds

What is Orb3210351?

Plain description, key identifiers and synonyms

Orb3210351 is a chemical substance with the molecular formula C19H18ClNO8 and a molar mass of 423.81 g/mol. Its CAS registry number is 77790-29-5. The IUPAC name is (1S,12S)-23-methyl-5,7,16,18-tetraoxa-23-azahexacyclo[10.10.1.02,10.04,8.013,21.015,19]tricosa-2,4(8),9,13,15(19),20-hexaene, perchloric acid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(1S,12S)-23-methyl-5,7,16,18-tetraoxa-23-azahexacyclo[10.10.1.02,10.04,8.013,21.015,19]tricosa-2,4(8),9,13,15(19),20-hexaene, perchloric acid
CAS number
77790-29-5
Molecular formula
C19H18ClNO8
InChIKey
XYTGTPVYXJRNIH-YYLIZZNMSA-N
InChI
InChI=1S/C19H17NO4.ClHO4/c1-20-14-2-10-4-16-18(23-8-21-16)6-12(10)15(20)3-11-5-17-19(7-13(11)14)24-9-22-17;2-1(3,4)5/h4-7,14-15H,2-3,8-9H2,1H3;(H,2,3,4,5)/t14-,15-;/m0./s1
Canonical SMILES
CN1C2Cc3cc4c(cc3C1Cc1cc3c(cc12)OCO3)OCO4.[O-][Cl+3]([O-])([O-])O
Isomeric SMILES
CN1[C@H]2CC3=CC4=C(C=C3[C@@H]1CC5=CC6=C(C=C25)OCO6)OCO4.OCl(=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
423.81 g/molcalc.
Exact mass
423.0721 Dacalc.
LogP (octanol/water)
-1.15calc.
Topological polar surface area
129.6 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
9calc.
Rotatable bonds
0calc.
Heavy atoms
29calc.
Rings
6calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.37calc.
Formal charge
0calc.
Stereocentres
2calc.
Components
2calc.
Lipinski rule of five
Passes (0 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, c1c2c(cc3c1OCO3)C1Cc3cc4c(cc3C(C2)N1)OCO4

c1c2c(cc3c1OCO3)C1Cc3cc4c(cc3C(C2)N1)OCO4

6 rings, 23 atoms.

3 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.

Orb3210351 suppliers

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Orb3210351 price

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Uses and applications

What the substance is used for, by industry and function

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 Orb3210351 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 Orb3210351 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Orb3210351, based on the data on this page

What is Orb3210351?

Orb3210351 is a chemical substance with the molecular formula C19H18ClNO8 and a molar mass of 423.81 g/mol. Its CAS registry number is 77790-29-5. The IUPAC name is (1S,12S)-23-methyl-5,7,16,18-tetraoxa-23-azahexacyclo[10.10.1.02,10.04,8.013,21.015,19]tricosa-2,4(8),9,13,15(19),20-hexaene, perchloric acid.

What is the CAS number of Orb3210351?

The CAS registry number of Orb3210351 is 77790-29-5.

What is the molecular formula and weight of Orb3210351?

The molecular formula of Orb3210351 is C19H18ClNO8 and its molar mass is 423.81 g/mol.

What is Orb3210351 used for?

Known uses and roles of Orb3210351 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Orb3210351 hazardous?

No GHS hazard classification for Orb3210351 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 Orb3210351?

Orb3210351 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 Orb3210351?

Post a free request on CompoundList and suppliers of Orb3210351 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Orb3210351?

Suppliers quote Orb3210351 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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