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Details

Stereochemistry ABSOLUTE
Molecular Formula C34H32N4O7.Cu
Molecular Weight 672.186
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of COPPER CHLOROPHYLLIN B

SMILES

[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=KPXZRAAKOHDVOL-XXRBRTKDSA-L
InChI=1S/C34H34N4O7.Cu/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/p-2/t16-,20-;/m0./s1

HIDE SMILES / InChI

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 C34H30N4O7
Molecular Weight 606.6246
Charge -2
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 01:50:30 GMT 2023
Edited
by admin
on Sat Dec 16 01:50:30 GMT 2023
Record UNII
KSU8A45E9K
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
COPPER CHLOROPHYLLIN B
Common Name English
Code System Code Type Description
CAS
28777-01-7
Created by admin on Sat Dec 16 01:50:30 GMT 2023 , Edited by admin on Sat Dec 16 01:50:30 GMT 2023
PRIMARY
ECHA (EC/EINECS)
249-208-5
Created by admin on Sat Dec 16 01:50:30 GMT 2023 , Edited by admin on Sat Dec 16 01:50:30 GMT 2023
PRIMARY
PUBCHEM
76959123
Created by admin on Sat Dec 16 01:50:30 GMT 2023 , Edited by admin on Sat Dec 16 01:50:30 GMT 2023
PRIMARY
FDA UNII
KSU8A45E9K
Created by admin on Sat Dec 16 01:50:30 GMT 2023 , Edited by admin on Sat Dec 16 01:50:30 GMT 2023
PRIMARY
EPA CompTox
DTXSID40951421
Created by admin on Sat Dec 16 01:50:30 GMT 2023 , Edited by admin on Sat Dec 16 01:50:30 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE