Metabolite Opromazine

Name

Opromazine

Description

Not Available

Structure

Similar Structures

Synonyms

Chlorpromazine S-oxide / Chlorpromazine-S-oxide / Oxychlorpromazine

External IDs

5293 RP / Ba 2835

UNII

016U10PN9N

CAS number

969-99-3

Weight

Average: 334.86
Monoisotopic: 334.0906621

Chemical Formula

C₁₇H₁₉ClN₂OS

InChI Key

QEPPAOXKZOTMPM-UHFFFAOYSA-N

InChI

InChI=1S/C17H19ClN2OS/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)22(21)17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3

IUPAC Name

2-chloro-10-[3-(dimethylamino)propyl]-10H-5lambda4-phenothiazin-5-one

SMILES

CN(C)CCCN1C2=CC=CC=C2S(=O)C2=C1C=C(Cl)C=C2

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-000i-4009000000-9273a3e0207bec207407
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-001r-0059000000-3998c54113f720344620
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-000i-9024000000-5f75c7670adaf9ad3f81
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-001r-1089000000-ea023e2f74156d1754fa
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0udi-5090000000-81fbb3746170b3e9f1c9
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-001j-9150000000-fc71c3f73d7c51e10c9e

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	169.10417	predicted	DeepCCS 1.0 (2019)
[M+H]+	171.46219	predicted	DeepCCS 1.0 (2019)
[M+Na]+	177.55534	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties