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TCI

CAS 561-20-6

Cacotheline Monohydrate TCI C0001

Cacotheline Monohydrate TCI C0001

Chemical Identity

CAS No.
561-20-6
PubChem
CID 68413·SID 87565213
Formula
C21H21N3O7.HNO3.H2O
Molecular weight
508.45 g/mol
Purity
>75.0%(HPLC)
Full identifiers (IUPAC, SMILES, InChIKey)
IUPAC
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
SMILES
C1CN2CC3=CCOC(C4C3CC2C15C4NC6=C(C(=O)C(=O)C=C56)[N+](=O)[O-])CC(=O)O
InChIKey
IVEMPCACOMNRGI-OFDJEBHLSA-N
MDL
MDL00077211
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TCI C0001 Cacotheline Monohydrate is a brucine-derived alkaloid long used as a classical redox indicator in analytical chemistry. It develops a distinct violet coloration upon reduction, making titration endpoints easy to read without instrumentation. Its best-known application is the determination of tin(II) and the qualitative spot testing of strong reducing agents. Supplied in 1 g and 5 g packs, it is toxic by nature and must be handled with gloves in a fume hood and stored cool, dry, and protected from light.

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