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Details

Stereochemistry ACHIRAL
Molecular Formula C23H16O6.2C19H17N3.2H2O
Molecular Weight 999.1169
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PARAROSANILINE PAMOATE

SMILES

O.O.NC1=CC=C(C=C1)C(C2=CC=C(N)C=C2)=C3C=CC(=N)C=C3.NC4=CC=C(C=C4)C(C5=CC=C(N)C=C5)=C6C=CC(=N)C=C6.OC(=O)C7=CC8=C(C=CC=C8)C(CC9=C%10C=CC=CC%10=CC(C(O)=O)=C9O)=C7O

InChI

InChIKey=HFAAHEOLTBJLBO-UHFFFAOYSA-N
InChI=1S/C23H16O6.2C19H17N3.2H2O/c24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29;2*20-16-7-1-13(2-8-16)19(14-3-9-17(21)10-4-14)15-5-11-18(22)12-6-15;;/h1-10,24-25H,11H2,(H,26,27)(H,28,29);2*1-12,20H,21-22H2;2*1H2

HIDE SMILES / InChI

Molecular Formula C23H16O6
Molecular Weight 388.3695
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C19H17N3
Molecular Weight 287.3584
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula H2O
Molecular Weight 18.0153
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Pararosaniline pamoate (CI 403-A) was developed as an orally active drug for the treatment of Schistosoma japonicum infection. The clinical trial has shown that capsules were safe and effective; in addition, this drug was well tolerated with a minimum of side effects, which were mostly mild and transient and did not require interruption of treatment. Besides, pararosaniline pamoate was an inhibitor of E.histolytica Hsp90 (EhHsp90) with promising activity against the parasite Pararosaniline pamoate, that causes amebiasis worldwide. Information about the current use of this drug is not available.

Approval Year

PubMed

PubMed

TitleDatePubMed
Heat shock protein 90 inhibitors repurposed against Entamoeba histolytica.
2015

Sample Use Guides

Given orally in gelatin capsules, the drug was well tolerated even in children, with few side-effects, and was both curative and suppressive when administered in a maximum dosage of 35-40 mg/kg body-weight per day for as many as 52 days spread over a total treatment period of 203 days
Route of Administration: Oral
Substance Class Chemical
Created
by admin
on Fri Dec 15 16:20:26 UTC 2023
Edited
by admin
on Fri Dec 15 16:20:26 UTC 2023
Record UNII
856KL5XV3O
Record Status Validated (UNII)
Record Version
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Name Type Language
PARAROSANILINE PAMOATE
USAN  
USAN  
Official Name English
CI 403A
Code English
PARAROSANILINE PAMOATE [USAN]
Common Name English
NSC-107529
Code English
PARAROSANILINE EMBONATE DIHYDRATE
Common Name English
NSC-758408
Code English
CN-15573-23A
Code English
.ALPHA.-(P-AMINOPHENYL)-.ALPHA.-(4-IMINO-2,5-CYCLOHEXADIEN-1-YLIDENE)-P-TOLUIDINE 4,4'-METHYLENEBIS(3-HYDROXY-2-NAPHTHOATE) (2:1) DIHYDRATE
Common Name English
CI-403A
Code English
CN-15,573-23A
Code English
PS-1286
Code English
2-NAPHTHALENECARBOXYLIC ACID, 4,4'-METHYLENEBIS(3-HYDROXY-, COMPD. WITH 4-((4-AMINOPHENYL)(4-IMINO-2,5-CYCLOHEXADIEN-1-YLIDENE)METHYL)BENZENAMINE (1:2) DIHYDRATE
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C461
Created by admin on Fri Dec 15 16:20:26 UTC 2023 , Edited by admin on Fri Dec 15 16:20:26 UTC 2023
Code System Code Type Description
PUBCHEM
11980056
Created by admin on Fri Dec 15 16:20:26 UTC 2023 , Edited by admin on Fri Dec 15 16:20:26 UTC 2023
PRIMARY
NSC
107529
Created by admin on Fri Dec 15 16:20:26 UTC 2023 , Edited by admin on Fri Dec 15 16:20:26 UTC 2023
PRIMARY
NSC
758408
Created by admin on Fri Dec 15 16:20:26 UTC 2023 , Edited by admin on Fri Dec 15 16:20:26 UTC 2023
PRIMARY
CAS
7232-51-1
Created by admin on Fri Dec 15 16:20:26 UTC 2023 , Edited by admin on Fri Dec 15 16:20:26 UTC 2023
PRIMARY
NCI_THESAURUS
C87719
Created by admin on Fri Dec 15 16:20:26 UTC 2023 , Edited by admin on Fri Dec 15 16:20:26 UTC 2023
PRIMARY
ChEMBL
CHEMBL1368322
Created by admin on Fri Dec 15 16:20:26 UTC 2023 , Edited by admin on Fri Dec 15 16:20:26 UTC 2023
PRIMARY
FDA UNII
856KL5XV3O
Created by admin on Fri Dec 15 16:20:26 UTC 2023 , Edited by admin on Fri Dec 15 16:20:26 UTC 2023
PRIMARY
EPA CompTox
DTXSID20894185
Created by admin on Fri Dec 15 16:20:26 UTC 2023 , Edited by admin on Fri Dec 15 16:20:26 UTC 2023
PRIMARY
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