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Heterocyclic compounds

Decyclohexanamine-exatecan

Also known as (S)-4-Ethyl-8-fluoro-4-hydroxy-9-methyl-1,12-dihydro-14H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H)-dione, (19S)-19-ethyl-6-fluoro-19-hydroxy-7-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaene-14,18-dione, 1H-Pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione, 4-ethyl-8-fluoro-4-hydroxy-9-methyl-, (4S)-

CAS 2505045-51-0Formula C21H17FN2O4Molar mass 380.38 g/mol
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Decyclohexanamine-exatecan chemical structure, C21H17FN2O4, CAS 2505045-51-0
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
2505045-51-0
Formula
C21H17FN2O4
Molar mass
380.38 g/mol
HS code
293499
Category
Heterocyclic compounds

What is Decyclohexanamine-exatecan?

Plain description, key identifiers and synonyms

Decyclohexanamine-exatecan is a chemical substance with the molecular formula C21H17FN2O4 and a molar mass of 380.38 g/mol. Its CAS registry number is 2505045-51-0. The IUPAC name is (19S)-19-ethyl-6-fluoro-19-hydroxy-7-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaene-14,18-dione.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(19S)-19-ethyl-6-fluoro-19-hydroxy-7-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaene-14,18-dione
CAS number
2505045-51-0
Molecular formula
C21H17FN2O4
InChIKey
GATBZNISYBKSSQ-NRFANRHFSA-N
InChI
InChI=1S/C21H17FN2O4/c1-3-21(27)14-6-17-18-12(5-11-4-10(2)15(22)7-16(11)23-18)8-24(17)19(25)13(14)9-28-20(21)26/h4-7,27H,3,8-9H2,1-2H3/t21-/m0/s1
Canonical SMILES
CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3cc(C)c(F)cc3nc2-1
Isomeric SMILES
CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=C(C3=C2)N=C5C=C(C(=CC5=C4)C)F)O

Synonyms

  • (S)-4-Ethyl-8-fluoro-4-hydroxy-9-methyl-1,12-dihydro-14H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H)-dione
  • (19S)-19-ethyl-6-fluoro-19-hydroxy-7-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaene-14,18-dione
  • 1H-Pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione, 4-ethyl-8-fluoro-4-hydroxy-9-methyl-, (4S)-

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
380.38 g/molcalc.
Exact mass
380.1172 Dacalc.
LogP (octanol/water)
2.53calc.
Topological polar surface area
81.42 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
1calc.
Heavy atoms
28calc.
Rings
5calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.29calc.
Formal charge
0calc.
Stereocentres
1calc.
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, O=C1Cc2cc3n(c(=O)c2CO1)Cc1cc2ccccc2nc1-3

O=C1Cc2cc3n(c(=O)c2CO1)Cc1cc2ccccc2nc1-3

5 rings, 23 atoms.

307 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.

Decyclohexanamine-exatecan suppliers

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

Frequently asked questions

Quick answers about Decyclohexanamine-exatecan, based on the data on this page

What is Decyclohexanamine-exatecan?

Decyclohexanamine-exatecan is a chemical substance with the molecular formula C21H17FN2O4 and a molar mass of 380.38 g/mol. Its CAS registry number is 2505045-51-0.

What is the CAS number of Decyclohexanamine-exatecan?

The CAS registry number of Decyclohexanamine-exatecan is 2505045-51-0.

What is the molecular formula and weight of Decyclohexanamine-exatecan?

The molecular formula of Decyclohexanamine-exatecan is C21H17FN2O4 and its molar mass is 380.38 g/mol.

Is Decyclohexanamine-exatecan hazardous?

No GHS hazard classification for Decyclohexanamine-exatecan 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 Decyclohexanamine-exatecan?

Decyclohexanamine-exatecan 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 Decyclohexanamine-exatecan?

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What is the price of Decyclohexanamine-exatecan?

Suppliers quote Decyclohexanamine-exatecan 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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