SODIUM COPPER CHLOROPHYLLIN A

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

Structure Search

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

Primary Target	Pharmacology	Condition	Potency
Apoptosis 155 Target ID: WP1018 Sources: https://www.ncbi.nlm.nih.gov/pubmed/25650669	Activator 1430

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

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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