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Screening compounds

Odiline

Also known as stevensine, 4-(2-amino-1H-imidazol-5-yl)-2,3-dibromo-6,7-dihydro-1H-pyrrolo[2,3-c]azepin-8-one, 4-(2-amino-1H-imidazol-5-yl)-2,3-dibromo-6,7-dihydro-1H-pyrrolo(2,3-c)azepin-8-one

CAS 99102-22-4Formula C11H9Br2N5OMolar mass 387.04 g/mol
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Odiline chemical structure, C11H9Br2N5O, CAS 99102-22-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
99102-22-4
Formula
C11H9Br2N5O
Molar mass
387.04 g/mol
HS code
293329
Category
Screening compounds

What is Odiline?

Plain description, key identifiers and synonyms

stevensine has been reported in Axinella corrugata, Stylissa carteri, and other organisms.

Odiline is a bio-active alkaloid isolated from a marine sponge.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
4-(2-amino-1H-imidazol-5-yl)-2,3-dibromo-6,7-dihydro-1H-pyrrolo[2,3-c]azepin-8-one
CAS number
99102-22-4 CAS number cross-checked
Molecular formula
C11H9Br2N5O
UNII
44PB7HEQ22
InChIKey
ZNIBKSGUBSYKLY-UHFFFAOYSA-N
InChI
InChI=1S/C11H9Br2N5O/c12-7-6-4(5-3-16-11(14)17-5)1-2-15-10(19)8(6)18-9(7)13/h1,3,18H,2H2,(H,15,19)(H3,14,16,17)
SMILES (canonical and isomeric)
C1C=C(C2=C(C(=O)N1)NC(=C2Br)Br)C3=CN=C(N3)N

Synonyms

  • stevensine
  • 4-(2-amino-1H-imidazol-5-yl)-2,3-dibromo-6,7-dihydro-1H-pyrrolo[2,3-c]azepin-8-one
  • 4-(2-amino-1H-imidazol-5-yl)-2,3-dibromo-6,7-dihydro-1H-pyrrolo(2,3-c)azepin-8-one
  • 4-(2-Amino-1H-imidazol-5-yl)-2,3-dibromo-6,7-dihydropyrrolo(2,3-C)azepin-8(1H)-one
  • Pyrrolo(2,3-C)azepin-8(1H)-one, 4-(2-amino-1H-imidazol-4-yl)-2,3-dibromo-6,7-dihydro-
  • Pyrrolo(2,3-C)azepin-8(1H)-one, 4-(2-amino-1H-imidazol-5-yl)-2,3-dibromo-6,7-dihydro-
  • 4-(2-Amino-1H-imidazol-5-yl)-2,3-dibromo-6,7-dihydropyrrolo[2,3-c]azepin-8(1H)-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
387.04 g/molcalc.
Exact mass
384.9174 Dacalc.
LogP (octanol/water)
2.02calc.
Topological polar surface area
99.59 Ųcalc.
Hydrogen bond donors
4calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
1calc.
Heavy atoms
19calc.
Rings
3calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.09calc.
Formal charge
0calc.
Stereocentres
0calc.
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=C1NCC=C(c2cnc[nH]2)c2cc[nH]c21

O=C1NCC=C(c2cnc[nH]2)c2cc[nH]c21

3 rings, 16 atoms.

No other chemical in our database has 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.

Odiline suppliers

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Odiline 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 Odiline is traded under.

HS 2933.29Indicative HS code

Compounds containing an unfused imidazole ring (whether or not hydrogenated) in the…

World exports in 2024
$1.43B
−7.6% vs 2023, imports $1.47B
2019 to 2024
Top exporters
  1. China28.1%
  2. France * partner reported12.7%
  3. India * partner reported10.3%
Top importers
  1. United Kingdom13.0%
  2. United States7.9%
  3. China6.5%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Odiline?

stevensine has been reported in Axinella corrugata, Stylissa carteri, and other organisms.

What is the CAS number of Odiline?

The CAS registry number of Odiline is 99102-22-4.

What is the molecular formula and weight of Odiline?

The molecular formula of Odiline is C11H9Br2N5O and its molar mass is 387.04 g/mol.

What is Odiline used for?

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

Is Odiline hazardous?

No GHS hazard classification for Odiline 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 Odiline?

Odiline is usually classified under HS code 293329 (Compounds containing an unfused imidazole ring (whether or not hydrogenated) in the…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Odiline?

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What is the price of Odiline?

Suppliers quote Odiline 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 Odiline

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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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