On February 28, 2020, 22 Novichok precursors were added to the Australia Group (AG) Chemical Weapons Precursors list, to complement the recent addition of Novichok agents to CWC Schedule 1.

The added Novichok precursors include AG entries 66-72 – phosphorus-containing precursors for the synthesis of phosphate agents listed in CWC 1A14, e.g. A-232 and A-234 – and AG entries 73-87 – amidine precursors for the synthesis of CWC 1A13 and CWC 1A14. The phosphorus-containing precursors for the synthesis of the phosphonate agents listed in CWC 1A13 (e.g. A-230) and CWC 1A15 (A-242) were already part of the AG chemical precursors list prior to the amendment, as they coincide with the precursors for canonical nerve agents.

The table below lists the new entries added to the AG Chemical Weapons Precursors list, curated and structurally annotated.

New. The table is now downloadable in SDF, CSV, and Microsoft Excel format.

Costanzi Research Logo Update to Australia Group Chemicals

Curated and Structurally Annotated by Costanzi Research – www.costanziresearch.com
(Last Update: September 03, 2020)

The Table is available for download in the following formats:
SDF, CSV, Microsoft Excel

Disclaimer. The information in this table is provided for research and general information purposes only. The authors do not guarantee the accuracy of the information and do not take any responsibility for any consequence, including, but not limited to, financial or legal consequences, that may occur due to inaccuracies or omissions.
Color Code: Individual Chemicals
Mixtures of Chemicals
Proteins
Families of Chemicals
Examples: Individual Compounds Belonging to a Family of Chemicals
Exceptions: Compounds Belonging to a Family of Chemicals but Excluded from the CWC Schedules
Notes.
1. Entries 66-87 were added on February 28, 2020.
2. For entries lacking a CAS registry number, a sequential registry number assinged by Costanzi Research (CR number) is provided instead.
3. For proteins, the UNIPROT ID is provided instead.
4. Overlaps among CWC schedules, Australia Group chemicals, and Wassenaar ML7 chemicals are provided.
5. 2D structures curated by Costanzi Research are provided as SDF and MRV files (MRV files require ChemAxon’s MarvinSketch to open).
6. 3D strucures from PubChem are shown with NCBI’s iCn3D.
7. NIST Chemistry WebBook cards provide chemical and physical data compiled by the National Institute of Standards and Technology, including, inter alia, analytical spectra.
Category AG Entry Number1 AG Entry Name CAS Registry Number2 PubChem ID3 Structure
(click to enlarge)
SMILES InChI Overlaps4 Links5-7
Novichok precursor AG 66 Methyl dichlorophosphate 677-24-7 69611 work in progress - Image coming soon CO[P](Cl)(Cl)=O InChI=1S/CH3Cl2O2P/c1-5-6(2,3)4/h1H3

InChIKey=SNVCRNWSNUUGEA-UHFFFAOYSA-N
Novichok precursor AG 67 Ethyl dichlorophosphate 1498-51-7 15158 work in progress - Image coming soon CCO[P](Cl)(Cl)=O InChI=1S/C2H5Cl2O2P/c1-2-6-7(3,4)5/h2H2,1H3

InChIKey=YZBOZNXACBQJHI-UHFFFAOYSA-N
Novichok precursor AG 68 Methyl difluorophosphate 22382-13-4 123401 work in progress - Image coming soon CO[P](F)(F)=O InChI=1S/CH3F2O2P/c1-5-6(2,3)4/h1H3

InChIKey=ZLTVJTLCEBCPRC-UHFFFAOYSA-N
Novichok precursor AG 69 Ethyl difluorophosphate 460-52-6 120250 work in progress - Image coming soon CCO[P](F)(F)=O InChI=1S/C2H5F2O2P/c1-2-6-7(3,4)5/h2H2,1H3

InChIKey=CNDDYKSDJBKASR-UHFFFAOYSA-N
Novichok precursor AG 70 Diethyl chlorophosphite 589-57-1 68530 work in progress - Image coming soon CCOP(Cl)OCC InChI=1S/C4H10ClO2P/c1-3-6-8(5)7-4-2/h3-4H2,1-2H3

InChIKey=TXHWYSOQHNMOOU-UHFFFAOYSA-N
Novichok precursor AG 71 Methyl chlorofluorophosphate 754-01-8 23418492 work in progress - Image coming soon CO[P](F)(Cl)=O InChI=1S/CH3ClFO2P/c1-5-6(2,3)4/h1H3

InChIKey=GUDIWCZJEDSHOE-UHFFFAOYSA-N
Novichok precursor AG 72 Ethyl chlorofluorophosphate 762-77-6 23416048 work in progress - Image coming soon CCO[P](F)(Cl)=O InChI=1S/C2H5ClFO2P/c1-2-6-7(3,4)5/h2H2,1H3

InChIKey=GKMSNBMXTVUSFQ-UHFFFAOYSA-N
Novichok precursor AG 73 N,N-Dimethylformamidine 44205-42-7 12669390 work in progress - Image coming soon CN(C)C=N InChI=1S/C3H8N2/c1-5(2)3-4/h3-4H,1-2H3

InChIKey=DSWNRHCOGVRDOE-UHFFFAOYSA-N
Novichok precursor AG 74 N,N-Diethylformamidine 90324-67-7 17912027 work in progress - Image coming soon CCN(CC)C=N InChI=1S/C5H12N2/c1-3-7(4-2)5-6/h5-6H,3-4H2,1-2H3

InChIKey=WJPHKKLZKLZWDB-UHFFFAOYSA-N
Novichok precursor AG 75 N,N-Dipropylformamidine 48044-20-8 87832225 work in progress - Image coming soon CCCN(CCC)C=N InChI=1S/C7H16N2/c1-3-5-9(7-8)6-4-2/h7-8H,3-6H2,1-2H3

InChIKey=BLDHGACEPAYSQL-UHFFFAOYSA-N
Novichok precursor AG 76 N,N-Diisopropylformamidine 857522-08-8 19782034 work in progress - Image coming soon CC(C)N(C=N)C(C)C InChI=1S/C7H16N2/c1-6(2)9(5-8)7(3)4/h5-8H,1-4H3

InChIKey=ZQRAQDIQRXIIGH-UHFFFAOYSA-N
Novichok precursor AG 77 N,N-Dimethylacetamidine 2909-14-0 6394935 work in progress - Image coming soon CN(C)C(C)=N InChI=1S/C4H10N2/c1-4(5)6(2)3/h5H,1-3H3

InChIKey=PAXRVGDTBDATMF-UHFFFAOYSA-N
Novichok precursor AG 78 N,N-Diethylacetamidine 14277-06-6 4243241 work in progress - Image coming soon CCN(CC)C(C)=N InChI=1S/C6H14N2/c1-4-8(5-2)6(3)7/h7H,4-5H2,1-3H3

InChIKey=RXSIKRLQGANXCL-UHFFFAOYSA-N
Novichok precursor AG 79 N,N-Dipropylacetamidine 1339586-99-0 62047941 work in progress - Image coming soon CCCN(CCC)C(C)=N InChI=1S/C8H18N2/c1-4-6-10(7-5-2)8(3)9/h9H,4-7H2,1-3H3

InChIKey=NCEHBEWJERYLDC-UHFFFAOYSA-N
Novichok precursor AG 80 N,N-Dimethylpropanamidine 56776-14-8 12375523 work in progress - Image coming soon CCC(=N)N(C)C InChI=1S/C5H12N2/c1-4-5(6)7(2)3/h6H,4H2,1-3H3

InChIKey=HFNWYQJFWCTELT-UHFFFAOYSA-N
Novichok precursor AG 81 N,N-Diethylpropanamidine 84764-73-8 13109962 work in progress - Image coming soon CCN(CC)C(=N)CC InChI=1S/C7H16N2/c1-4-7(8)9(5-2)6-3/h8H,4-6H2,1-3H3

InChIKey=KCIXJSPXBFPFGZ-UHFFFAOYSA-N
Novichok precursor AG 82 N,N-Dipropylpropanamidine 1341496-89-6 62047942 work in progress - Image coming soon CCCN(CCC)C(=N)CC InChI=1S/C9H20N2/c1-4-7-11(8-5-2)9(10)6-3/h10H,4-8H2,1-3H3

InChIKey=QGXGUIYCSOPPGP-UHFFFAOYSA-N
Novichok precursor AG 83 N,N-Dimethylbutanamidine 1340437-35-5 17928752 work in progress - Image coming soon CCCC(=N)N(C)C InChI=1S/C6H14N2/c1-4-5-6(7)8(2)3/h7H,4-5H2,1-3H3

InChIKey=XXHLECYBVSUVRK-UHFFFAOYSA-N
Novichok precursor AG 84 N,N-Diethylbutanamidine 53510-30-8 57106491 work in progress - Image coming soon CCCC(=N)N(CC)CC InChI=1S/C8H18N2/c1-4-7-8(9)10(5-2)6-3/h9H,4-7H2,1-3H3

InChIKey=RFCZFRBWFIKGTJ-UHFFFAOYSA-N
Novichok precursor AG 85 N,N-Dipropylbutanamidine 1342422-35-8 62048118 work in progress - Image coming soon CCCN(CCC)C(=N)CCC InChI=1S/C10H22N2/c1-4-7-10(11)12(8-5-2)9-6-3/h11H,4-9H2,1-3H3

InChIKey=LVXHITFMDGAYLY-UHFFFAOYSA-N
Novichok precursor AG 86 N,N-Diisopropylbutanamidine 1315467-17-4 101801650 work in progress - Image coming soon CCCC(=N)N(C(C)C)C(C)C InChI=1S/C10H22N2/c1-6-7-10(11)12(8(2)3)9(4)5/h8-9,11H,6-7H2,1-5H3

InChIKey=IRABBLSJPFTRAG-UHFFFAOYSA-N
Novichok precursor AG 87 N,N-Dimethylisobutanamidine 321881-25-8 21623186 work in progress - Image coming soon CC(C)C(=N)N(C)C InChI=1S/C6H14N2/c1-5(2)6(7)8(3)4/h5,7H,1-4H3

InChIKey=MNSQSJWQUTWSOO-UHFFFAOYSA-N