Cacotheline monohydrate, 95%

cas: 561-20-6 — see every product listed under this CAS number, including other names

Cacotheline monohydrate, 95% (CAS 561-20-6) is a chemical reagent available from Chemat. Available pack sizes: 5g, 1g. Offered by: Combi-blocks.

brandCombi-blocks
catalog numberQC-4136-5g
cas561-20-6
size5g
Documents: Safety Data Sheet (MSDS)
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Available pack sizes

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Combi-blocks 5g price on request
Combi-blocks 1g price on request

properties

purity95%
delivery time1-2 weeks (only if in stock, to check click on availability)
Structural formula: {0} (CAS {1})

2-[(4S,12S,13R,14S,19R,21S)-9-nitro-7,8-dioxo-15-oxa-1,11-diazahexacyclo[16.3.1.04,12.04,21.05,10.013,19]docosa-5,9,17-trien-14-yl]acetic acid (CAS 561-20-6) is a chemical compound with the molecular formula C21H21N3O7 and a molecular weight of 427.4 g/mol. IUPAC name: 2-[(4S,12S,13R,14S,19R,21S)-9-nitro-7,8-dioxo-15-oxa-1,11-diazahexacyclo[16.3.1.04,12.04,21.05,10.013,19]docosa-5,9,17-trien-14-yl]acetic acid. InChIKey: IVEMPCACOMNRGI-OFDJEBHLSA-N.

Identity
Molecular formulaC21H21N3O7
Molecular weight427.4 g/mol
IUPAC name2-[(4S,12S,13R,14S,19R,21S)-9-nitro-7,8-dioxo-15-oxa-1,11-diazahexacyclo[16.3.1.04,12.04,21.05,10.013,19]docosa-5,9,17-trien-14-yl]acetic acid
InChIKeyIVEMPCACOMNRGI-OFDJEBHLSA-N
SMILESC1CN2CC3=CCO[C@H]([C@@H]4[C@H]3C[C@H]2[C@@]15[C@H]4NC6=C(C(=O)C(=O)C=C56)[N+](=O)[O-])CC(=O)O

Computed by PubChem (NCBI)

Synonyms: Cacotheline, KACOTHELINE, CACOTHELINE [MI], 2,3-dihydro-4-nitro-2,3-dioxo-9,10-secostrychnidin-10-oic acid, 9,10-Secostrychnidin-10-oic acid, 2,3-dihydro-4-nitro-2,3-dioxo-, 2,3dihydro4nitro2,3dioxo9,10secostrychnidin10oic acid, 9,10Secostrychnidin10oic acid, 2,3dihydro4nitro2,3dioxo, 9,10Secostrychnidin10oic acid, 2,3dihydro4nitro2,3dioxo (9CI), 9,10-Secostrychnidin-10-oic acid, 2,3-dihydro-4-nitro-2,3-dioxo-(9CI), Cacotheline monohydrate

Also listed as

Cacotheline Monohydrate, >98.0%(T) TCI CAS 561-20-6
Cacotheline, min. 95 %, p.a., 1 g, glass Roth CAS 561-20-6
Cacotheline, min. 95 %, p.a., 10 g, glass Roth CAS 561-20-6
Cacotheline, min. 95 %, p.a., 25 g, glass Roth CAS 561-20-6