SODIUM COPPER CHLOROPHYLLIN B

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

Structure Search

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	22.9898
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	C34H29N4O7
Molecular Weight	605.6167
Charge	-3
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 `Fri Dec 15 18:35:23 UTC 2023` Edited by `admin` on `Fri Dec 15 18:35:23 UTC 2023`
Record UNII	W291NWW1C0
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SODIUM COPPER CHLOROPHYLLIN B

Common Name

English

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)-

Common Name

English

Code System Code Type Description

FDA UNII

W291NWW1C0