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Details

Stereochemistry ABSOLUTE
Molecular Formula C37H41N5O9S.2K.Pd
Molecular Weight 916.43
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PADELIPORFIN POTASSIUM

SMILES

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

InChI

InChIKey=AOSMIFSJINLACN-NAEAMVODSA-J
InChI=1S/C37H45N5O9S.2K.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*+1;+2/p-4/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 K
Molecular Weight 39.0983
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

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 Sat Dec 16 14:45:25 UTC 2023
Edited
by admin
on Sat Dec 16 14:45:25 UTC 2023
Record UNII
JQ72VD4XUL
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PADELIPORFIN POTASSIUM
USAN  
Official Name English
STAKEL
Brand Name English
Padeliporfin dipotassium [WHO-DD]
Common Name English
PADELIPORFIN (POTASSIUM)
Common Name English
Potassium (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-) (2:1)
Systematic Name English
WST11 DIPOTASSIUM
Code 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)-, POTASSIUM (1:2), (SP-4-2)-
Systematic Name English
PADELIPORFIN DIPOTASSIUM
Common Name English
WST-11 DIPOTASSIUM
Code English
PADELIPORFIN POTASSIUM [USAN]
Common Name English
PADELIPORFIN DI-POTASSIUM [MI]
Common Name English
Code System Code Type Description
USAN
HI-09
Created by admin on Sat Dec 16 14:45:25 UTC 2023 , Edited by admin on Sat Dec 16 14:45:25 UTC 2023
PRIMARY
MERCK INDEX
m12050
Created by admin on Sat Dec 16 14:45:25 UTC 2023 , Edited by admin on Sat Dec 16 14:45:25 UTC 2023
PRIMARY
SMS_ID
100000166789
Created by admin on Sat Dec 16 14:45:25 UTC 2023 , Edited by admin on Sat Dec 16 14:45:25 UTC 2023
PRIMARY
PUBCHEM
129629432
Created by admin on Sat Dec 16 14:45:25 UTC 2023 , Edited by admin on Sat Dec 16 14:45:25 UTC 2023
PRIMARY
NCI_THESAURUS
C175732
Created by admin on Sat Dec 16 14:45:25 UTC 2023 , Edited by admin on Sat Dec 16 14:45:25 UTC 2023
PRIMARY
FDA UNII
JQ72VD4XUL
Created by admin on Sat Dec 16 14:45:25 UTC 2023 , Edited by admin on Sat Dec 16 14:45:25 UTC 2023
PRIMARY
CAS
698393-30-5
Created by admin on Sat Dec 16 14:45:25 UTC 2023 , Edited by admin on Sat Dec 16 14:45:25 UTC 2023
PRIMARY
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PARENT -> SALT/SOLVATE
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ACTIVE MOIETY