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Details

Stereochemistry ACHIRAL
Molecular Formula C19H24N4O2.2C2H6O4S
Molecular Weight 592.683
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PENTAMIDINE ISETHIONATE

SMILES

OCCS(O)(=O)=O.OCCS(O)(=O)=O.NC(=N)C1=CC=C(OCCCCCOC2=CC=C(C=C2)C(N)=N)C=C1

InChI

InChIKey=YBVNFKZSMZGRAD-UHFFFAOYSA-N
InChI=1S/C19H24N4O2.2C2H6O4S/c20-18(21)14-4-8-16(9-5-14)24-12-2-1-3-13-25-17-10-6-15(7-11-17)19(22)23;2*3-1-2-7(4,5)6/h4-11H,1-3,12-13H2,(H3,20,21)(H3,22,23);2*3H,1-2H2,(H,4,5,6)

HIDE SMILES / InChI
Molecular Formula C19H24N4O2
Molecular Weight 340.4195
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE
Molecular Formula C2H6O4S
Molecular Weight 126.132
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Unknown
86413
Substance Class Chemical
Created
by admin
on Fri Dec 15 15:17:47 UTC 2023
Edited
by admin
on Fri Dec 15 15:17:47 UTC 2023
Record UNII
V2P3K60DA2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PENTAMIDINE ISETHIONATE
MI   ORANGE BOOK   USAN   USP   USP-RS   VANDF   WHO-DD  
USAN  
Official Name English
PENTAMIDINE DIISETIONATE [EP MONOGRAPH]
Common Name English
NEBUPENT
Brand Name English
PENTAMIDINE ISETHIONATE [USP MONOGRAPH]
Common Name English
Pentamidine isethionate [WHO-DD]
Common Name English
PENTAMIDINE ISETIONATE
JAN   MART.   WHO-IP  
Common Name English
PENTAMIDINE ISETHIONATE [ORANGE BOOK]
Common Name English
MB 800
Code English
PENTAMIDINE DIISETIONATE
EP  
Common Name English
PENTAMIDINE BIS(2-HYDROXYETHANESULFONATE)
Common Name English
PENTAMIDINE ISETIONATE [MART.]
Common Name English
PENTAMIDINE ISETIONATE [WHO-IP]
Common Name English
PENTAMIDINE ISETHIONATE [MI]
Common Name English
NSC-757400
Code English
RP 2512
Code English
ETHANESULFONIC ACID, 2-HYDROXY-, COMPD. WITH 4,4'-(1,5-PENTANEDIYLBIS(OXY))BIS (BENZENECARBOXIMIDAMIDE)
Common Name English
4,4'-(PENTANE-1,5-DIYLBIS(OXY))DIBENZIMIDAMIDE BIS(2-HYDROXYETHANESULPHONATE)
Systematic Name English
4,4'-(PENTANE-1,5-DIYLBIS(OXY))DIBENZIMIDAMIDE BIS(2-HYDROXYETHANESULFONATE)
Systematic Name English
PENTAMIDINE ISETIONATE [JAN]
Common Name English
PENTACARINAT
Brand Name English
NSC-620107
Code English
PENTAMIDINE ISETHIONATE [USP-RS]
Common Name English
OCZ103-OS
Code English
PENTAMIDINE ISETHIONATE [VANDF]
Common Name English
PENTAMIDINE ISETHIONATE [USAN]
Common Name English
PENTAMIDINI ISETIONAS [WHO-IP LATIN]
Common Name English
PENTAMIDINE DIISETIONATE [EP IMPURITY]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C277
Created by admin on Fri Dec 15 15:17:47 UTC 2023 , Edited by admin on Fri Dec 15 15:17:47 UTC 2023
FDA ORPHAN DRUG 1083
Created by admin on Fri Dec 15 15:17:47 UTC 2023 , Edited by admin on Fri Dec 15 15:17:47 UTC 2023
WHO-ATC P01CX01
Created by admin on Fri Dec 15 15:17:47 UTC 2023 , Edited by admin on Fri Dec 15 15:17:47 UTC 2023
FDA ORPHAN DRUG 21187
Created by admin on Fri Dec 15 15:17:47 UTC 2023 , Edited by admin on Fri Dec 15 15:17:47 UTC 2023
FDA ORPHAN DRUG 3784
Created by admin on Fri Dec 15 15:17:47 UTC 2023 , Edited by admin on Fri Dec 15 15:17:47 UTC 2023
FDA ORPHAN DRUG 25887
Created by admin on Fri Dec 15 15:17:47 UTC 2023 , Edited by admin on Fri Dec 15 15:17:47 UTC 2023
NCI_THESAURUS C514
Created by admin on Fri Dec 15 15:17:47 UTC 2023 , Edited by admin on Fri Dec 15 15:17:47 UTC 2023
Code System Code Type Description
MERCK INDEX
m8497
Created by admin on Fri Dec 15 15:17:47 UTC 2023 , Edited by admin on Fri Dec 15 15:17:47 UTC 2023
PRIMARY Merck Index
RXCUI
7995
Created by admin on Fri Dec 15 15:17:47 UTC 2023 , Edited by admin on Fri Dec 15 15:17:47 UTC 2023
PRIMARY RxNorm
RS_ITEM_NUM
1504900
Created by admin on Fri Dec 15 15:17:47 UTC 2023 , Edited by admin on Fri Dec 15 15:17:47 UTC 2023
PRIMARY
EPA CompTox
DTXSID5023796
Created by admin on Fri Dec 15 15:17:47 UTC 2023 , Edited by admin on Fri Dec 15 15:17:47 UTC 2023
PRIMARY
DRUG BANK
DBSALT000967
Created by admin on Fri Dec 15 15:17:47 UTC 2023 , Edited by admin on Fri Dec 15 15:17:47 UTC 2023
PRIMARY
WHO INTERNATIONAL PHARMACOPEIA
PENTAMIDINE ISETHIONATE
Created by admin on Fri Dec 15 15:17:47 UTC 2023 , Edited by admin on Fri Dec 15 15:17:47 UTC 2023
PRIMARY Description: A white, or almost white, crystalline powder; odourless. Solubility: Soluble in 10 parts of water; slightly soluble in ethanol (~750 g/L) TS; practically insoluble in ether R. Category: Antipneumocystosis, antitoxoplasmosis and antitrypanosomal activity. Storage: Pentamidine isetionate should be kept in a well-closed container. Additional information: Pentamidine isetionate is hygroscopic and exhibits polymorphism. Definition: Pentamidine isetionate contains not less than 98.5% and not more than 102.5% of C19H24N4O2,2C2H6O4S, calculatedwith reference to the dried substance.
SMS_ID
100000079776
Created by admin on Fri Dec 15 15:17:47 UTC 2023 , Edited by admin on Fri Dec 15 15:17:47 UTC 2023
PRIMARY
NCI_THESAURUS
C29349
Created by admin on Fri Dec 15 15:17:47 UTC 2023 , Edited by admin on Fri Dec 15 15:17:47 UTC 2023
PRIMARY
DAILYMED
V2P3K60DA2
Created by admin on Fri Dec 15 15:17:47 UTC 2023 , Edited by admin on Fri Dec 15 15:17:47 UTC 2023
PRIMARY
FDA UNII
V2P3K60DA2
Created by admin on Fri Dec 15 15:17:47 UTC 2023 , Edited by admin on Fri Dec 15 15:17:47 UTC 2023
PRIMARY
EVMPD
SUB14795MIG
Created by admin on Fri Dec 15 15:17:47 UTC 2023 , Edited by admin on Fri Dec 15 15:17:47 UTC 2023
PRIMARY
ChEMBL
CHEMBL55
Created by admin on Fri Dec 15 15:17:47 UTC 2023 , Edited by admin on Fri Dec 15 15:17:47 UTC 2023
PRIMARY
NSC
620107
Created by admin on Fri Dec 15 15:17:47 UTC 2023 , Edited by admin on Fri Dec 15 15:17:47 UTC 2023
PRIMARY
USAN
TT-72
Created by admin on Fri Dec 15 15:17:47 UTC 2023 , Edited by admin on Fri Dec 15 15:17:47 UTC 2023
PRIMARY
ECHA (EC/EINECS)
205-424-1
Created by admin on Fri Dec 15 15:17:47 UTC 2023 , Edited by admin on Fri Dec 15 15:17:47 UTC 2023
PRIMARY
CHEBI
7977
Created by admin on Fri Dec 15 15:17:47 UTC 2023 , Edited by admin on Fri Dec 15 15:17:47 UTC 2023
PRIMARY
NSC
757400
Created by admin on Fri Dec 15 15:17:47 UTC 2023 , Edited by admin on Fri Dec 15 15:17:47 UTC 2023
PRIMARY
CAS
140-64-7
Created by admin on Fri Dec 15 15:17:47 UTC 2023 , Edited by admin on Fri Dec 15 15:17:47 UTC 2023
PRIMARY
PUBCHEM
8813
Created by admin on Fri Dec 15 15:17:47 UTC 2023 , Edited by admin on Fri Dec 15 15:17:47 UTC 2023
PRIMARY
Related Record Type Details
Structure of PENTAMIDINE
PARENT -> SALT/SOLVATE
Structure of ISETHIONIC ACID
PARENT -> SALT/SOLVATE
Related Record Type Details
Structure of 4-((5-(4-AMIDINOPHENOXY)PENTYL)OXY)BENZENECARBOXAMIDE
IMPURITY -> PARENT
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
Related Record Type Details
Structure of PENTAMIDINE
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