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Details

Stereochemistry ABSOLUTE
Molecular Formula C34H29N4O7.Cu.3Na
Molecular Weight 738.132
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SODIUM COPPER CHLOROPHYLLIN B

SMILES

[Na+].[Na+].[Na+].[Cu++].CCC1=C(C=O)C2=CC3=C(C=C)C(C)=C([N-]3)C=C4N=C([C@@H](CCC([O-])=O)[C@@H]4C)C(CC([O-])=O)=C5[N-]C(=CC1=N2)C(C)=C5C([O-])=O

InChI

InChIKey=KYLOFEQLMQEHBO-JOKPRTCASA-I
InChI=1S/C34H34N4O7.Cu.3Na/c1-6-18-15(3)23-11-24-16(4)20(8-9-29(40)41)32(37-24)21(10-30(42)43)33-31(34(44)45)17(5)25(38-33)12-27-19(7-2)22(14-39)28(36-27)13-26(18)35-23;;;;/h6,11-14,16,20H,1,7-10H2,2-5H3,(H5,35,36,37,38,39,40,41,42,43,44,45);;;;/q;+2;3*+1/p-5/t16-,20-;;;;/m0..../s1

HIDE SMILES / InChI

Molecular Formula Na
Molecular Weight 22.98976928
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C34H29N4O7
Molecular Weight 605.6167
Charge -3
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula Cu
Molecular Weight 63.546
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 Mon Mar 31 19:15:58 GMT 2025
Edited
by admin
on Mon Mar 31 19:15:58 GMT 2025
Record UNII
W291NWW1C0
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CUPRATE(3-), ((7S,8S)-3-CARBOXY-5-(CARBOXYMETHYL)-13-ETHENYL-18-ETHYL-17-FORMYL-7,8-DIHYDRO-2,8,12-TRIMETHYL-21H,23H-PORPHINE-7-PROPANOATO(5-)-.KAPPA.N21,.KAPPA.N22,.KAPPA.N23,.KAPPA.N24)-, SODIUM (1:3), (SP-4-2)-
Preferred Name English
SODIUM COPPER CHLOROPHYLLIN B
Common Name English
Code System Code Type Description
FDA UNII
W291NWW1C0
Created by admin on Mon Mar 31 19:15:58 GMT 2025 , Edited by admin on Mon Mar 31 19:15:58 GMT 2025
PRIMARY
EPA CompTox
DTXSID3021273
Created by admin on Mon Mar 31 19:15:58 GMT 2025 , Edited by admin on Mon Mar 31 19:15:58 GMT 2025
PRIMARY
PUBCHEM
9987554
Created by admin on Mon Mar 31 19:15:58 GMT 2025 , Edited by admin on Mon Mar 31 19:15:58 GMT 2025
PRIMARY
ECHA (EC/EINECS)
248-950-7
Created by admin on Mon Mar 31 19:15:58 GMT 2025 , Edited by admin on Mon Mar 31 19:15:58 GMT 2025
PRIMARY
CAS
28302-36-5
Created by admin on Mon Mar 31 19:15:58 GMT 2025 , Edited by admin on Mon Mar 31 19:15:58 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE