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Heterocyclic compounds

Oxybicillin

Also known as 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-(2-phenylacetamido)-, compd. with alpha,alpha'-(ethylenediimino)di-o-cresol

CAS 3841-12-1Formula C48H56N6O10S2Molar mass 941.14 g/mol
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Oxybicillin chemical structure, C48H56N6O10S2, CAS 3841-12-1
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
3841-12-1
Formula
C48H56N6O10S2
Molar mass
941.14 g/mol
HS code
294110
Category
Heterocyclic compounds

What is Oxybicillin?

Plain description, key identifiers and synonyms

Oxybicillin is a chemical substance with the molecular formula C48H56N6O10S2 and a molar mass of 941.14 g/mol. Its CAS registry number is 3841-12-1. The IUPAC name is bis((2S,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid), 2-[[2-[(2-hydroxyphenyl)methylamino]ethylamino]methyl]phenol.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
bis((2S,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid), 2-[[2-[(2-hydroxyphenyl)methylamino]ethylamino]methyl]phenol
CAS number
3841-12-1 CAS number cross-checked
Molecular formula
C48H56N6O10S2
InChIKey
QDCQBITXGBDDCP-WYOCMTACSA-N
InChI
InChI=1S/2C16H18N2O4S.C16H20N2O2/c2*1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9;19-15-7-3-1-5-13(15)11-17-9-10-18-12-14-6-2-4-8-16(14)20/h2*3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22);1-8,17-20H,9-12H2/t2*11-,12+,14?;/m11./s1
Canonical SMILES
CC1(C)SC2C(NC(=O)Cc3ccccc3)C(=O)N2C1C(=O)O.CC1(C)SC2C(NC(=O)Cc3ccccc3)C(=O)N2C1C(=O)O.Oc1ccccc1CNCCNCc1ccccc1O
Isomeric SMILES
CC1([C@@H](N2C(S1)[C@@H](C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)C.CC1([C@@H](N2C(S1)[C@@H](C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)C.C1=CC=C(C(=C1)CNCCNCC2=CC=CC=C2O)O

Synonyms

  • 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-(2-phenylacetamido)-, compd. with alpha,alpha'-(ethylenediimino)di-o-cresol

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
941.14 g/molcalc.
Exact mass
940.3499 Dacalc.
LogP (octanol/water)
3.7calc.
Topological polar surface area
237.9 Ųcalc.
Hydrogen bond donors
8calc.
Hydrogen bond acceptors
12calc.
Rotatable bonds
15calc.
Heavy atoms
66calc.
Rings
8calc.
Aromatic rings
4calc.
Fraction sp3 carbons
0.38calc.
Formal charge
0calc.
Stereocentres
6calc.
Components
3calc.
Lipinski rule of five
Fails (3 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=C(Cc1ccccc1)NC1C(=O)N2CCSC12

O=C(Cc1ccccc1)NC1C(=O)N2CCSC12

3 rings, 18 atoms.

177 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.

Oxybicillin suppliers

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Oxybicillin 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 Oxybicillin is traded under.

HS 2941.10Indicative HS code

Penicillins and their derivatives with a penicillanic acid structure, salts thereof

World exports in 2024
$1.66B
−2.5% vs 2023, imports $1.63B
2019 to 2024
Top exporters
  1. China56.8%
  2. Spain13.1%
  3. India * partner reported7.7%
Top importers
  1. India * partner reported16.4%
  2. Austria9.3%
  3. Brazil5.4%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Oxybicillin?

Oxybicillin is a chemical substance with the molecular formula C48H56N6O10S2 and a molar mass of 941.14 g/mol. Its CAS registry number is 3841-12-1.

What is the CAS number of Oxybicillin?

The CAS registry number of Oxybicillin is 3841-12-1.

What is the molecular formula and weight of Oxybicillin?

The molecular formula of Oxybicillin is C48H56N6O10S2 and its molar mass is 941.14 g/mol.

Is Oxybicillin hazardous?

No GHS hazard classification for Oxybicillin 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 Oxybicillin?

Oxybicillin is usually classified under HS code 294110 (Penicillins and their derivatives with a penicillanic acid structure, salts thereof). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Oxybicillin?

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What is the price of Oxybicillin?

Suppliers quote Oxybicillin 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 Oxybicillin

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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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