PADELIPORFIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C37H43N5O9S.Pd
Molecular Weight	840.25
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Pd++].[H][C@@]1(CC)[C@@H](C)C2=CC3=C(C(C)=O)C(C)=C([N-]3)C=C4N=C(C(CC(=O)OC)=C5[N-]C(=CC1=N2)C(C)=C5C(=O)NCCS(O)(=O)=O)[C@@]([H])(CCC(O)=O)[C@]4([H])C

InChI

InChIKey=MZRDSGWDVDESRC-VNWQTDIGSA-L

InChI=1S/C37H45N5O9S.Pd/c1-8-22-17(2)25-16-30-33(21(6)43)19(4)27(40-30)14-26-18(3)23(9-10-31(44)45)35(41-26)24(13-32(46)51-7)36-34(37(47)38-11-12-52(48,49)50)20(5)28(42-36)15-29(22)39-25;/h14-18,22-23H,8-13H2,1-7H3,(H5,38,39,40,41,42,43,44,45,47,48,49,50);/q;+2/p-2/t17-,18+,22-,23+;/m1./s1

HIDE SMILES / InChI

Molecular Formula	C37H43N5O9S
Molecular Weight	733.83
Charge	-2
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	Pd
Molecular Weight	106.42
Charge	2
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 19:39:20 UTC 2023` Edited by `admin` on `Fri Dec 15 19:39:20 UTC 2023`
Record UNII	EEO29FZT86
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PADELIPORFIN

Official Name

English

PADELIPORFIN [MI]

Common Name

English

(SP-4-2)-[(7S,8S,17R,18R)-13-Acetyl-18-ethyl-7,8-dihydro-5-(2-methoxy-2-oxoethyl)-2,8,12,17-tetramethyl-3-[(2-sulfoethyl)carbamoyl]-21H,23H-porphine-7-propanoato(4-)-κN21,κN22,κN23,κN24]-palladate(2-)

Systematic Name

English

PADELIPORFIN [USAN]

Common Name

English

WST-11

Code

English

padeliporfin [INN]

Common Name

English

PALLADATE(2-), ((7S,8S,17R,18R)-13-ACETYL-18-ETHYL-7,8-DIHYDRO-5-(2-METHOXY-2-OXOETHYL)-2,8,12,17-TETRAMETHYL-3-(((2-SULFOETHYL)AMINO)CARBONYL)-21H,23H-PORPHINE-7-PROPANOATO(4-)-.KAPPA.N21,.KAPPA.N22,.KAPPA.N23,.KAPPA.N24)-, (SP-4-2)-

Systematic Name

English

WST11

Code

English

Padeliporfin [WHO-DD]

Common Name

English

DIHYDROGEN (3-((7S,8S,17R,18R)-13-ACETYL-18-ETHYL-5-(-2-METHOXY-2-OXOETHYL)-2,8,12,17-TETRAMETHYL-3-((2-SULFONATOETHYL)CARBAMOYL)-7,8,17,18-TETRAHYDROPORPHYRIN-7-YL)PROPANOATO)PALLADIUM

Common Name

English

Classification Tree Code System Code

WHO-ATC

L01XD07