ASP5354 chloride
3-[(2E)-2-[(2E)-2-[3-[(E)-2-[1,1-dimethyl-3-[3-oxo-3-[3-[[(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26R,28R,30R,31S,33R,35R,36R,37R,38R,39R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R)-36,37,38,39,41,42,43,44,45,46,47,48,49-tridecahydroxy-5,10,15,20,25,30,35-heptakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-40-yl]oxy]propylamino]propyl]benzo[e]indol-3-ium-2-yl]ethenyl]-2-methoxycyclohex-2-en-1-ylidene]ethylidene]-1,1-dimethylbenzo[e]indol-3-yl]-N-[3-[[(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36R,37R,38R,39R,40S,41R,42R,43R,44R,45R,46R,47R,48R,49R)-36,37,38,39,40,42,43,44,45,46,47,48,49-tridecahydroxy-5,10,15,20,25,30,35-heptakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-41-yl]oxy]propyl]propanamide chloride
Molecular Identity
ASP5354 chloride
3-[(2E)-2-[(2E)-2-[3-[(E)-2-[1,1-dimethyl-3-[3-oxo-3-[3-[[(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26R,28R,30R,31S,33R,35R,36R,37R,38R,39R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R)-36,37,38,39,41,42,43,44,45,46,47,48,49-tridecahydroxy-5,10,15,20,25,30,35-heptakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-40-yl]oxy]propylamino]propyl]benzo[e]indol-3-ium-2-yl]ethenyl]-2-methoxycyclohex-2-en-1-ylidene]ethylidene]-1,1-dimethylbenzo[e]indol-3-yl]-N-[3-[[(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36R,37R,38R,39R,40S,41R,42R,43R,44R,45R,46R,47R,48R,49R)-36,37,38,39,40,42,43,44,45,46,47,48,49-tridecahydroxy-5,10,15,20,25,30,35-heptakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-41-yl]oxy]propyl]propanamide chloride
PubChem CID: 145996611
2D Structure
Properties
C135H197ClN4O73
Molecular Formula
3079.40
Molecular Weight
g/mol
3078.1548
Exact Mass
Da
1160
TPSA
May have limited oral absorption
42
H-Bond Donors
75
H-Bond Acceptors
6610
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(17)
ASP5354 chloridePudexacianinium chlorideUNII-D23R36L5QYD23R36L5QYPudexacianinium chloride [INN]Pudexacianinium chloride [USAN]2243793-22-6ASP-5354 CHLORIDEASP 5354 ChlorideRefChem:177167.BETA.-CYCLODEXTRIN, 2A-O-(3-AMINOPROPYL)-, DIAMIDE WITH 3-(2-CARBOXYETHYL)-2-(2-(3-(2-(3-(2-CARBOXYETHYL)-1,3-DIHYDRO-1,1-DIMETHYL-2H-BENZ(E)INDOL-2-YLIDIENE)ETHYLIDENE)-2-METHOXY-1-CYCLOHEXEN-1-YL)ETHENYL)-1,1-DIMETHYL-1H-BENZ(E)INDOLIUM, CHLORIDE (1:1).BETA.-CYCLODEXTRIN, 2A-O-(3-AMINOPROPYL)-, DIAMIDE WITH 3-(2-CARBOXYETHYL)-2-(2-(3-(2-(3-(2-CARBOXYETHYL)-1,3-DIHYDRO-1,1-DIMETHYL-2H-BENZ(E)INDOL-2-YLIDIENE)ETHYLIDENE)-2-METHOXY-1-CYCLOHEXEN-1-YL)ETHYLENE)-1,1-DIMETHYL-1H-BENZ(E)INDOLIUM, CHLORIDE (1:1)3-(3-((3-(CYCLOMALTOHEPTAOS-2I-O-YL)PROPYL)AMINO)-3-OXOPROPYL)-2-((1E)-2-((3E)-3-((2E)-2-(3-(3-((3-(CYCLOMALTOHEPTAOS-2I-O-YL)PROPYL)AMINO)-3-OXOPROPYL)-1,1-DIMETHYL-1,3-DIHYDRO-2H-BENZO(E)INDOL2-YLIDENE)ETHYLIDENE)-2-METHOXYCYCLOHEX-1-EN-1-YL)ETHEN-1-YL)-1,1-DIMETHYL-1H-BENZO(E)INDOL-3-IUM CHLORIDEBETA-CYCLODEXTRIN, 2A-O-(3-AMINOPROPYL)-, DIAMIDE WITH 3-(2-CARBOXYETHYL)-2-(2-(3-(2-(3-(2-CARBOXYETHYL)-1,3-DIHYDRO-1,1-DIMETHYL-2H-BENZ(E)INDOL-2-YLIDIENE)ETHYLIDENE)-2-METHOXY-1-CYCLOHEXEN-1-YL)ETHENYL)-1,1-DIMETHYL-1H-BENZ(E)INDOLIUM, CHLORIDE (1:1)BETA-CYCLODEXTRIN, 2A-O-(3-AMINOPROPYL)-, DIAMIDE WITH 3-(2-CARBOXYETHYL)-2-(2-(3-(2-(3-(2-CARBOXYETHYL)-1,3-DIHYDRO-1,1-DIMETHYL-2H-BENZ(E)INDOL-2-YLIDIENE)ETHYLIDENE)-2-METHOXY-1-CYCLOHEXEN-1-YL)ETHYLENE)-1,1-DIMETHYL-1H-BENZ(E)INDOLIUM, CHLORIDE (1:1)
Data from PubChem (NCBI)
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