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Screening compounds

Bactobolin

Also known as (-)-Bactobolin, Antibiotic BN 183B, BN 183B

CAS 72615-20-4Formula C14H20Cl2N2O6Molar mass 383.23 g/mol
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Bactobolin chemical structure, C14H20Cl2N2O6, CAS 72615-20-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
72615-20-4
Formula
C14H20Cl2N2O6
Molar mass
383.23 g/mol
HS code
293220
Category
Screening compounds

What is Bactobolin?

Plain description, key identifiers and synonyms

Bactobolin is an amino acid amide.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(2S)-N-[(3S,4R,4aR,5R,6R)-3-(dichloromethyl)-5,6,8-trihydroxy-3-methyl-1-oxo-4a,5,6,7-tetrahydro-4H-isochromen-4-yl]-2-aminopropanamide
CAS number
72615-20-4 CAS number cross-checked
Molecular formula
C14H20Cl2N2O6
UNII
EOF7S67HS2
InChIKey
RBCHRRIVFAIGFI-RGBMRXMBSA-N
InChI
InChI=1S/C14H20Cl2N2O6/c1-4(17)11(22)18-10-8-7(5(19)3-6(20)9(8)21)12(23)24-14(10,2)13(15)16/h4,6,8-10,13,19-21H,3,17H2,1-2H3,(H,18,22)/t4-,6+,8-,9-,10+,14-/m0/s1
Canonical SMILES
CC(N)C(=O)NC1C2C(=C(O)CC(O)C2O)C(=O)OC1(C)C(Cl)Cl
Isomeric SMILES
C[C@@H](C(=O)N[C@@H]1[C@@H]2[C@H]([C@@H](CC(=C2C(=O)O[C@]1(C)C(Cl)Cl)O)O)O)N

Synonyms

  • (-)-Bactobolin
  • Antibiotic BN 183B
  • BN 183B
  • (2S)-N-[(3S,4R,4aR,5R,6R)-3-(dichloromethyl)-5,6,8-trihydroxy-3-methyl-1-oxo-4a,5,6,7-tetrahydro-4H-isochromen-4-yl]-2-aminopropanamide
  • (2S)-N-((3S,4R,4aR,5R,6R)-3-(dichloromethyl)-5,6,8-trihydroxy-3-methyl-1-oxo-4a,5,6,7-tetrahydro-4H-isochromen-4-yl)-2-aminopropanamide
  • (2S)-2-Amino-N-((3S,4R,4aR,5R,6R)-3-(dichloromethyl)-3,4,4a,5,6,7-hexahydro-5,6,8-trihydroxy-3-methyl-1-oxo-1H-2-benzopyran-4-yl)propanamide
  • 2-Amino-N-(3-(dichloromethyl)-3,4,4a,5,6,7-hexahydro-5,6,8-trihydroxy-3-methyl-1-oxo-1H-2-benzopyran-4-yl), Propanamide
  • (2S)-N-[(3S,4R,4aR,5R,6R)-3-(dichloromethyl)-5,6,8-trihydroxy-3-methyl-1-oxo-4a,5,6,7-tetrahydro-4H-isochromen-4-yl]-2-amino-propanamide
  • 2-Amino-N-[3-(dichloromethyl)-3,4,4a,5,6,7- hexahydro-5,6,8-trihydroxy-3-methyl-1-oxo-1H-2- benzopyran-4-yl], Propanamide
  • N-[(3S,4R,4aR,5R,6R)-3-(Dichloromethyl)-5,6,8-trihydroxy-3-methyl-1-oxo-3,4,4a,5,6,7-hexahydro-1H-2-benzopyran-4-yl]-L-alaninamide
  • Propanamide, 2-amino-N-((3S,4R,4ar,5R,6R)-3-(dichloromethyl)-3,4,4a,5,6,7-hexahydro-5,6,8-trihydroxy-3-methyl-1-oxo-1H-2-benzopyran-4-yl)-, (2S)-
  • Propanamide,4,4a,5,6,7-hexahydro-5,6,8-trihydroxy-3-methyl-1-oxo-1H-2-benzopyran-4-yl-, (3S-(3alpha,4alpha(R*),4abeta,5beta,6alpha))-
  • Propanamide,4,4a,5,6,7-hexahydro-5,6,8-trihydroxy-3-methyl-1-oxo-1H-2-benzopyran-4-yl]-, [3S-[3alpha,4alpha(R*),4abeta,5beta,6alpha]]-

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
383.23 g/molcalc.
Exact mass
382.0698 Dacalc.
LogP (octanol/water)
-0.51calc.
Topological polar surface area
142.1 Ųcalc.
Hydrogen bond donors
5calc.
Hydrogen bond acceptors
7calc.
Rotatable bonds
3calc.
Heavy atoms
24calc.
Rings
2calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.71calc.
Formal charge
0calc.
Stereocentres
6calc.
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=C1OCCC2CCCC=C12

O=C1OCCC2CCCC=C12

2 rings, 11 atoms.

17 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.

Bactobolin suppliers

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Bactobolin 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

Pharmacology

Bactobolin is a 3-dichloromethylactinobolin antineoplastic antibiotic isolated from various Pseudomonas bacterial species. BN-183 induces apoptosis via a caspase-dependent pathway. This agent also has immunomodulatory properties. (NCI04)

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 Bactobolin is traded under.

HS 2932.20Indicative HS code

Lactones

World exports in 2024
$1.97B
−4.7% vs 2023, imports $2.07B
2019 to 2024
Top exporters
  1. China56.3%
  2. India * partner reported7.4%
  3. Germany7.3%
Top importers
  1. United States14.2%
  2. India * partner reported13.5%
  3. Brazil8.5%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Bactobolin?

Bactobolin is an amino acid amide.

What is the CAS number of Bactobolin?

The CAS registry number of Bactobolin is 72615-20-4.

What is the molecular formula and weight of Bactobolin?

The molecular formula of Bactobolin is C14H20Cl2N2O6 and its molar mass is 383.23 g/mol.

What is Bactobolin used for?

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

Is Bactobolin hazardous?

No GHS hazard classification for Bactobolin 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 Bactobolin?

Bactobolin is usually classified under HS code 293220 (Lactones). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Bactobolin?

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What is the price of Bactobolin?

Suppliers quote Bactobolin 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 Bactobolin

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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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