MTL-005

Details

Stereochemistry	ACHIRAL
Molecular Formula	C38H20B20N6O6.Cu
Molecular Weight	936.368
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Cu++].[O-][N+](=O)C1=C2[N-]C(C=C2)=C(C3=NC(C=C3)=C(C4=CC=C([N-]4)C(=C5C=CC1=N5)C6=CC(OC[C]789%10[B]%11%12%13[B]%14%15%16[B]%17%18%19[B]%11%14%20[B]%17%21%22[B]%18%23%24[B]%15%19%25[B]7%12%16[B]8%23%25[C]9%21%24[B]%10%13%20%22)=CC=C6)[N+]([O-])=O)C%26=CC=CC(OC[C]%27%28%29%30[B]%31%32%33[B]%34%35%36[B]%37%38%39[B]%31%34%40[B]%37%41%42[B]%38%43%44[B]%35%39%45[B]%27%32%36[B]%28%43%45[C]%29%41%44[B]%30%33%40%42)=C%26

InChI

InChIKey=GJNAQHWCHVFMKD-XSUIMNIJSA-N

InChI=1S/C38H20B20N6O6.Cu/c65-63(66)33-27-11-7-23(59-27)31(19-3-1-5-21(15-19)69-17-37-35-39(37)43(35)44(35)40(35,37)48(37)47(37,39)51(39,43)55(43,44)52(40,44,48)57(47,48,51)55)24-8-12-28(60-24)34(64(67)68)30-14-10-26(62-30)32(25-9-13-29(33)61-25)20-4-2-6-22(16-20)70-18-38-36-41(38)45(36)46(36)42(36,38)50(38)49(38,41)53(41,45)56(45,46)54(42,46,50)58(49,50,53)56;/h1-16H,17-18H2;/q-2;+2/b31-23-,31-24-,32-25-,32-26-,33-27+,33-29+,34-28+,34-30+;

HIDE SMILES / InChI

Approval Year

Name

Type

Language

MTL-005

Code

English

MTL005

Preferred Name

English

COPPER MESO-5,15-BIS(3-((1,2-DICARBA-CLOSODODECABORANYL)METHOXY)PHENYL)-MESO-10,20-DINITROPORPHYRIN

Systematic Name

English

COPPER, (5,15-BIS(3-(1,2-DICARBADODECABORAN(12)-1-YLMETHOXY)PHENYL)-10,20-DINITRO-21H,23H-PORPHINATO(2-)-.KAPPA.N21,.KAPPA.N22,.KAPPA.N23,.KAPPA.N24)-, (SP-4-1)-

Systematic Name

English

(SP-4-1)-(5,15-BIS(3-(1,2-DICARBADODECABORAN(12)-1-YLMETHOXY)PHENYL)-10,20-DINITRO-21H,23H-PORPHINATO(2-)-.KAPPA.N21,.KAPPA.N22,.KAPPA.N23,.KAPPA.N24)COPPER

Common Name

English

Code System Code Type Description

FDA UNII

6LEC6S4MTY

Created by admin on Wed Apr 02 10:43:06 GMT 2025 , Edited by admin on Wed Apr 02 10:43:06 GMT 2025

PRIMARY

CAS

1030303-53-7

Created by admin on Wed Apr 02 10:43:06 GMT 2025 , Edited by admin on Wed Apr 02 10:43:06 GMT 2025

PRIMARY

SMS_ID

100000183875

Created by admin on Wed Apr 02 10:43:06 GMT 2025 , Edited by admin on Wed Apr 02 10:43:06 GMT 2025

PRIMARY

ACTIVE MOIETY


					6LEC6S4MTY

MTL-005