AH-111501 SODIUM

Details

Stereochemistry	ACHIRAL
Molecular Formula	C64H84O18S12.3Na
Molecular Weight	1595.09
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Na+].[Na+].[Na+].COCCC1(CCOC)SC2=C(S1)C(C([O-])=O)=C3SC(CCOC)(CCOC)SC3=C2[C](C4=C5SC(CCOC)(CCOC)SC5=C(C([O-])=O)C6=C4SC(CCOC)(CCOC)S6)C7=C8SC(CCOC)(CCOC)SC8=C(C([O-])=O)C9=C7SC(CCOC)(CCOC)S9

InChI

InChIKey=RQUGRPZEWLLJAH-UHFFFAOYSA-K

InChI=1S/C64H88O18S12.3Na/c1-71-25-13-59(14-26-72-2)83-44-38(45-51(41(56(65)66)50(44)89-59)90-60(84-45,15-27-73-3)16-28-74-4)37(39-46-52(91-61(85-46,17-29-75-5)18-30-76-6)42(57(67)68)53-47(39)86-62(92-53,19-31-77-7)20-32-78-8)40-48-54(93-63(87-48,21-33-79-9)22-34-80-10)43(58(69)70)55-49(40)88-64(94-55,23-35-81-11)24-36-82-12;;;/h37H,13-36H2,1-12H3,(H,65,66)(H,67,68)(H,69,70);;;/q;3*+1/p-3

HIDE SMILES / InChI

Molecular Formula	Na
Molecular Weight	22.98976928
Charge	1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C64H84O18S12
Molecular Weight	1526.121
Charge	-3
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 20:13:57 GMT 2025` Edited by `admin` on `Mon Mar 31 20:13:57 GMT 2025`
Record UNII	E6376LTZ8L
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

AH-111-501 SODIUM SALT

Preferred Name

English

AH-111501 SODIUM

Common Name

English

METHYL RADICAL, TRIS(8-CARBOXY-2,2,6,6-TETRAKIS(2-METHOXYETHYL)BENZO(1,2-D:4,5-D')BIS(1,3)DITHIOL-4-YL)-, SODIUM SALT (1:3)

Systematic Name

English

AH-111501 SODIUM SALT

Common Name

English

AH111501 SODIUM SALT

Code

English

METHYL, TRIS(8-CARBOXY-2,2,6,6-TETRAKIS(2-METHOXYETHYL)BENZO(1,2-D:4,5-D')BIS(1,3)DITHIOL-4-YL)-, SODIUM SALT (1:3)

Systematic Name

English

OX 063ME

Code

English

Code System Code Type Description

FDA UNII

E6376LTZ8L

Created by admin on Mon Mar 31 20:13:57 GMT 2025 , Edited by admin on Mon Mar 31 20:13:57 GMT 2025

PRIMARY

PUBCHEM

124081764

Created by admin on Mon Mar 31 20:13:57 GMT 2025 , Edited by admin on Mon Mar 31 20:13:57 GMT 2025

PRIMARY

CAS

874536-54-6

Created by admin on Mon Mar 31 20:13:57 GMT 2025 , Edited by admin on Mon Mar 31 20:13:57 GMT 2025

PRIMARY

SMS_ID

300000049555

Created by admin on Mon Mar 31 20:13:57 GMT 2025 , Edited by admin on Mon Mar 31 20:13:57 GMT 2025

PRIMARY

Related Record Type Details


					7048J30D1J

AH-111501

PARENT -> SALT/SOLVATE