IRDYE 700DX

Details

Stereochemistry	ACHIRAL
Molecular Formula	C74H96N12O27S6Si3.4Na
Molecular Weight	1954.224
Optical Activity	NONE
Defined Stereocenters	0 / 2
E/Z Centers	0
Charge	0
Stereo Comments	Coordination Compound

SHOW SMILES / InChI

Structure Search

SMILES

[Na+].[Na+].[Na+].[Na+].C[Si](C)(CCC[N+](CCCS([O-])(=O)=O)(CCCS([O-])(=O)=O)CCCS([O-])(=O)=O)O[Si]1(O[Si](C)(C)CCC[N+](CCCS([O-])(=O)=O)(CCCS([O-])(=O)=O)CCCS([O-])(=O)=O)N2C3=NC4=NC(=NC5=C6C=CC=CC6=C(N=C7N=C(N=C2C8=CC=CC=C38)C9=CC=CC(OCCCOC(=O)NCCCCCC(=O)ON%10C(=O)CCC%10=O)=C79)N15)C%11=CC=CC=C4%11

InChI

InChIKey=NTBCSBGVMJMABW-YEMOKLSOSA-J

InChI=1S/C74H100N12O27S6Si3.4Na/c1-120(2,52-21-42-85(36-15-46-114(91,92)93,37-16-47-115(94,95)96)38-17-48-116(97,98)99)112-122(113-121(3,4)53-22-43-86(39-18-49-117(100,101)102,40-19-50-118(103,104)105)41-20-51-119(106,107)108)83-70-56-26-9-10-27-57(56)72(83)80-68-60-30-14-31-61(109-44-23-45-110-74(90)75-35-13-5-6-32-64(89)111-82-62(87)33-34-63(82)88)65(60)69(77-68)81-73-59-29-12-11-28-58(59)71(84(73)122)79-67-55-25-8-7-24-54(55)66(76-67)78-70;;;;/h7-12,14,24-31H,5-6,13,15-23,32-53H2,1-4H3,(H5-2,75,90,91,92,93,94,95,96,97,98,99,100,101,102,103,104,105,106,107,108);;;;/q;4*+1/p-4/b78-66-,78-70-,79-67-,79-71-,80-68-,80-72-,81-69-,81-73-;;;;

HIDE SMILES / InChI

Molecular Formula	C74H96N12O27S6Si3
Molecular Weight	1862.265
Charge	-4
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 2
E/Z Centers	0
Optical Activity	NONE

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

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 23:36:30 GMT 2025` Edited by `admin` on `Mon Mar 31 23:36:30 GMT 2025`
Record UNII	C51A2YUX4N
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

IRDYE 700DX

Common Name

English

IRDYE 700DX NHS ESTER

Preferred Name

English

SILICATE(4-), (2,5-DIOXO-1-PYRROLIDINYL 6-(((3-((29H,31H-PHTHALOCYANIN-1-YL-.KAPPA.N29,.KAPPA.N30,.KAPPA.N31,.KAPPA.N32)OXY)PROPOXY)CARBONYL)AMINO)HEXANOATO(2-))BIS(N-(3-((HYDROXY-.KAPPA.O)DIMETHYLSILYL)PROPYL)-3-SULFO-N,N-BIS(3-SULFOPROPYL)-1-PROPANAMIN

Systematic Name

English

Code System Code Type Description

CAS

916821-46-0

Created by admin on Mon Mar 31 23:36:30 GMT 2025 , Edited by admin on Mon Mar 31 23:36:30 GMT 2025

PRIMARY

FDA UNII

C51A2YUX4N

Created by admin on Mon Mar 31 23:36:30 GMT 2025 , Edited by admin on Mon Mar 31 23:36:30 GMT 2025

PRIMARY

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