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Heterocyclic building blocks

DTR-I

Also known as 1,3,4,6,7,11b-Hexahydro-9,10-dihydroxy-3-(2-methylpropyl)-2H-benzo(a)quinolizin-2-one, 2H-Benzo(a)quinolizin-2-one, 1,3,4,6,7,11b-hexahydro-9,10-dihydroxy-3-(2-methylpropyl)-, 2H-Benzo(a)quinolizin-2-one, 1,3,4,6,7,11b-hexahydro-9,10-dihydroxy-3-isobutyl-

CAS 2220998-55-8Formula C17H23NO3Molar mass 289.38 g/mol
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DTR-I chemical structure, C17H23NO3, CAS 2220998-55-8
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
2220998-55-8
Formula
C17H23NO3
Molar mass
289.38 g/mol
HS code
293399
Category
Heterocyclic building blocks

What is DTR-I?

Plain description, key identifiers and synonyms

DTR-I is a chemical substance with the molecular formula C17H23NO3 and a molar mass of 289.38 g/mol. Its CAS registry number is 2220998-55-8. The IUPAC name is (3S,11bS)-9,10-dihydroxy-3-(2-methylpropyl)-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(3S,11bS)-9,10-dihydroxy-3-(2-methylpropyl)-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one
CAS number
2220998-55-8
Molecular formula
C17H23NO3
UNII
UN5LS7XT2Y
InChIKey
HKXSWCIZVQFEQQ-JSGCOSHPSA-N
InChI
InChI=1S/C17H23NO3/c1-10(2)5-12-9-18-4-3-11-6-16(20)17(21)7-13(11)14(18)8-15(12)19/h6-7,10,12,14,20-21H,3-5,8-9H2,1-2H3/t12-,14-/m0/s1
Canonical SMILES
CC(C)CC1CN2CCc3cc(O)c(O)cc3C2CC1=O
Isomeric SMILES
CC(C)C[C@H]1CN2CCC3=CC(=C(C=C3[C@@H]2CC1=O)O)O

Synonyms

  • 1,3,4,6,7,11b-Hexahydro-9,10-dihydroxy-3-(2-methylpropyl)-2H-benzo(a)quinolizin-2-one
  • 2H-Benzo(a)quinolizin-2-one, 1,3,4,6,7,11b-hexahydro-9,10-dihydroxy-3-(2-methylpropyl)-
  • 2H-Benzo(a)quinolizin-2-one, 1,3,4,6,7,11b-hexahydro-9,10-dihydroxy-3-isobutyl-
  • 1,3,4,6,7,11b-Hexahydro-9,10-dihydroxy-3-(2-methylpropyl)-2H-benzo(a)quinolizin-2-one, rel-(3R,11bR)-
  • 9,10-Dihydroxy-3-isobutyl-1,3,4,6,7,11b-hexahydro-2H-pyrido(2,1-a)isoquinolin-2-one

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
289.38 g/molcalc.
Exact mass
289.1678 Dacalc.
LogP (octanol/water)
2.63calc.
Topological polar surface area
60.77 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
2calc.
Heavy atoms
21calc.
Rings
3calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.59calc.
Formal charge
0calc.
Stereocentres
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, O=C1CCN2CCc3ccccc3C2C1

O=C1CCN2CCc3ccccc3C2C1

3 rings, 15 atoms, the 1,3,4,6,7,11b-Hexahydro-2H-benzo(a)quinolizin-2-one ring system.

42 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.

DTR-I suppliers

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DTR-I 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

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 DTR-I is traded under.

HS 2933.99Indicative HS code

Heterocyclic compounds with nitrogen hetero-atom(s) only, other

World exports in 2024
$12.1B
−31.0% vs 2023, imports $28.8B
2019 to 2024
Top exporters
  1. China30.5%
  2. India * partner reported16.3%
  3. Ireland9.0%
Top importers
  1. Slovenia31.7%
  2. Italy24.2%
  3. United States5.0%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

Quick answers about DTR-I, based on the data on this page

What is DTR-I?

DTR-I is a chemical substance with the molecular formula C17H23NO3 and a molar mass of 289.38 g/mol. Its CAS registry number is 2220998-55-8. The IUPAC name is (3S,11bS)-9,10-dihydroxy-3-(2-methylpropyl)-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one.

What is the CAS number of DTR-I?

The CAS registry number of DTR-I is 2220998-55-8.

What is the molecular formula and weight of DTR-I?

The molecular formula of DTR-I is C17H23NO3 and its molar mass is 289.38 g/mol.

What is DTR-I used for?

Known uses and roles of DTR-I include building blocks in research and laboratory and screening compounds in research and laboratory.

Is DTR-I hazardous?

No GHS hazard classification for DTR-I 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 DTR-I?

DTR-I is usually classified under HS code 293399 (Heterocyclic compounds with nitrogen hetero-atom(s) only, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy DTR-I?

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

What is the price of DTR-I?

Suppliers quote DTR-I 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 DTR-I

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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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