Metabolite hydroxychlorpromazine

Name

hydroxychlorpromazine

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

P0X9L6UVP0

CAS number

Not Available

Weight

Average: 334.864
Monoisotopic: 334.090661637

Chemical Formula

C₁₇H₁₉ClN₂OS

InChI Key

HICFFJZGXWEIHN-UHFFFAOYSA-N

InChI

InChI=1S/C17H19ClN2OS/c1-19(2)8-3-9-20-14-6-5-13(21)11-17(14)22-16-7-4-12(18)10-15(16)20/h4-7,10-11,21H,3,8-9H2,1-2H3

IUPAC Name

8-chloro-10-[3-(dimethylamino)propyl]-10H-phenothiazin-3-ol

SMILES

CN(C)CCCN1C2=C(SC3=C1C=C(Cl)C=C3)C=C(O)C=C2

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted GC-MS Spectrum - GC-MS	Predicted GC-MS	splash10-0bt9-9171000000-fa2621ccd32e1faca6d5
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-000i-0049000000-437348979c2cab3bad3c
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-001i-0009000000-c880ca4b9a3b46dd00bc
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-000i-9012000000-938752b6439b3af57361
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-001i-2059000000-a69b08afbeaaff482db1
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0r09-9160000000-5dd25640227db8246b3c
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-001i-9120000000-6a6a3ced33f992670028

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	183.9990771	predicted	DarkChem Lite v0.1.0
[M-H]-	172.56314	predicted	DeepCCS 1.0 (2019)
[M+H]+	184.0268771	predicted	DarkChem Lite v0.1.0
[M+H]+	174.92113	predicted	DeepCCS 1.0 (2019)
[M+Na]+	183.9208771	predicted	DarkChem Lite v0.1.0
[M+Na]+	181.01427	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties