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Details

Stereochemistry ACHIRAL
Molecular Formula C12H8ClNS
Molecular Weight 233.717
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-CHLOROPHENOTHIAZINE

SMILES

ClC1=CC2=C(SC3=C(N2)C=CC=C3)C=C1

InChI

InChIKey=KFZGLJSYQXZIGP-UHFFFAOYSA-N
InChI=1S/C12H8ClNS/c13-8-5-6-12-10(7-8)14-9-3-1-2-4-11(9)15-12/h1-7,14H

HIDE SMILES / InChI
Molecular Formula C12H8ClNS
Molecular Weight 233.717
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Description

2-chloro-phenothiazine is an important intermediate in the synthesis of anti-psychotic, anesthetic, anticonvulsant and other pharmaceutical drugs. 2-chlorophenothiazine exerts no effect on cellular bioenergetics and do not inhibit glioblastoma cell proliferation. In the photo-micronucleus test using V79 cells, 2-chlorophenothiazine was identified as photogenotoxin.

Approval Year

Unknown
139594
Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
PubMed

PubMed

TitleDatePubMed
Prediction of genotoxicity of chemical compounds by statistical learning methods.
2005 Jun
Patents

Patents

04705854
1
20040053920
1
CN101417986A
1

Sample Use Guides

In Vivo Use Guide
Unknown
Route of Administration: Unknown
In Vitro Use Guide
At a 2-chlorophenothiazine (2Cl-PTH) concentration of 2 uM, an apparent 16-fold increase in Ks was observed for 6-methyl-benzo[a]pyrene (6-CH3-BaP). 2Cl-PTH might exert a strong effect on the metabolism of 6-CH3-BaP.
Substance Class Chemical
Created
by admin
on Fri Dec 15 15:33:27 GMT 2023
Edited
by admin
on Fri Dec 15 15:33:27 GMT 2023
Record UNII
95H3AO2301
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-CHLOROPHENOTHIAZINE
Systematic Name English
PHENOTHIAZINE, 2-CHLORO-
Systematic Name English
NSC-170953
Code English
2-CL-PH
Common Name English
2-CHLORO-10H-PHENOTHIAZINE
Systematic Name English
PROCHLORPERAZINE MALEATE IMPURITY D [EP IMPURITY]
Common Name English
CHLORPROMAZINE HYDROCHLORIDE IMPURITY E [EP IMPURITY]
Common Name English
NSC-67188
Code English
NSC-17469
Code English
2-CHLORO-PHENOTHIAZINE
Systematic Name English
Code System Code Type Description
PUBCHEM
7088
Created by admin on Fri Dec 15 15:33:27 GMT 2023 , Edited by admin on Fri Dec 15 15:33:27 GMT 2023
PRIMARY
CAS
92-39-7
Created by admin on Fri Dec 15 15:33:27 GMT 2023 , Edited by admin on Fri Dec 15 15:33:27 GMT 2023
PRIMARY
NSC
17469
Created by admin on Fri Dec 15 15:33:27 GMT 2023 , Edited by admin on Fri Dec 15 15:33:27 GMT 2023
PRIMARY
NSC
67188
Created by admin on Fri Dec 15 15:33:27 GMT 2023 , Edited by admin on Fri Dec 15 15:33:27 GMT 2023
PRIMARY
EPA CompTox
DTXSID3057854
Created by admin on Fri Dec 15 15:33:27 GMT 2023 , Edited by admin on Fri Dec 15 15:33:27 GMT 2023
PRIMARY
ECHA (EC/EINECS)
202-152-5
Created by admin on Fri Dec 15 15:33:27 GMT 2023 , Edited by admin on Fri Dec 15 15:33:27 GMT 2023
PRIMARY
NSC
170953
Created by admin on Fri Dec 15 15:33:27 GMT 2023 , Edited by admin on Fri Dec 15 15:33:27 GMT 2023
PRIMARY
FDA UNII
95H3AO2301
Created by admin on Fri Dec 15 15:33:27 GMT 2023 , Edited by admin on Fri Dec 15 15:33:27 GMT 2023
PRIMARY
Related Record Type Details
Structure of CHLORPROMAZINE
PARENT -> METABOLITE
Related Record Type Details
Structure of CHLORPROMAZINE HYDROCHLORIDE
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
Structure of PROCHLORPERAZINE MALEATE
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
Structure of PROCHLORPERAZINE MALEATE
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
NIH
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