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Details

Stereochemistry ABSOLUTE
Molecular Formula C34H31N4O6.Cu.3Na
Molecular Weight 724.148
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SODIUM COPPER CHLOROPHYLLIN A

SMILES

[Na+].[Na+].[Na+].[Cu++].CCC1=C(C)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=HWDGVJUIHRPKFR-ZWPRWVNUSA-I
InChI=1S/C34H36N4O6.Cu.3Na/c1-7-19-15(3)23-12-25-17(5)21(9-10-29(39)40)32(37-25)22(11-30(41)42)33-31(34(43)44)18(6)26(38-33)14-28-20(8-2)16(4)24(36-28)13-27(19)35-23;;;;/h7,12-14,17,21H,1,8-11H2,2-6H3,(H5,35,36,37,38,39,40,41,42,43,44);;;;/q;+2;3*+1/p-5/t17-,21-;;;;/m0..../s1

HIDE SMILES / InChI

Molecular Formula Na
Molecular Weight 22.9898
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

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

Molecular Formula C34H31N4O6
Molecular Weight 591.6331
Charge -3
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
Substance Class Chemical
Created
by admin
on Fri Dec 15 19:00:02 GMT 2023
Edited
by admin
on Fri Dec 15 19:00:02 GMT 2023
Record UNII
VAC44EX123
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SODIUM COPPER CHLOROPHYLLIN A
Common Name English
CUPRATE(3-), ((7S,8S)-3-CARBOXY-5-(CARBOXYMETHYL)-13-ETHENYL-18-ETHYL-7,8-DIHYDRO-2,8,12,17-TETRAMETHYL-21H,23H-PORPHINE-7-PROPANOATO(5-)-.KAPPA.N21,.KAPPA.N22,.KAPPA.N23,.KAPPA.N24)-, SODIUM (1:3), (SP-4-2)-
Common Name English
Code System Code Type Description
RXCUI
2583872
Created by admin on Fri Dec 15 19:00:03 GMT 2023 , Edited by admin on Fri Dec 15 19:00:03 GMT 2023
PRIMARY
ECHA (EC/EINECS)
234-242-5
Created by admin on Fri Dec 15 19:00:03 GMT 2023 , Edited by admin on Fri Dec 15 19:00:03 GMT 2023
PRIMARY
DAILYMED
VAC44EX123
Created by admin on Fri Dec 15 19:00:03 GMT 2023 , Edited by admin on Fri Dec 15 19:00:03 GMT 2023
PRIMARY
PUBCHEM
9875143
Created by admin on Fri Dec 15 19:00:03 GMT 2023 , Edited by admin on Fri Dec 15 19:00:03 GMT 2023
PRIMARY
CAS
11006-34-1
Created by admin on Fri Dec 15 19:00:03 GMT 2023 , Edited by admin on Fri Dec 15 19:00:03 GMT 2023
PRIMARY
FDA UNII
VAC44EX123
Created by admin on Fri Dec 15 19:00:03 GMT 2023 , Edited by admin on Fri Dec 15 19:00:03 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE