(DE-(4-SULFOBUTYL))-(4-(N6-LYSINYLBUTYL))-INDOCYANINE GREEN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C51H62N4O6S
Molecular Weight	859.126
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	4
Charge	0

SHOW SMILES / InChI

Structure of (DE-(4-SULFOBUTYL))-(4-(N6-LYSINYLBUTYL))-INDOCYANINE GREEN

Structure Search

SMILES

CC1(C)\C(=C\C=C\C=C\C=C\C2=[N+](CCCCS([O-])(=O)=O)C3=C(C4=CC=CC=C4C=C3)C2(C)C)N(CCCCCC(=O)NCCCC[C@H](N)C(O)=O)C5=CC=C6C=CC=CC6=C15

InChI

InChIKey=LTSTUAKSYDVDHZ-RWYGWLOXSA-N

InChI=1S/C51H62N4O6S/c1-50(2)44(54(42-31-29-37-21-12-14-23-39(37)47(42)50)34-18-8-11-28-46(56)53-33-17-16-25-41(52)49(57)58)26-9-6-5-7-10-27-45-51(3,4)48-40-24-15-13-22-38(40)30-32-43(48)55(45)35-19-20-36-62(59,60)61/h5-7,9-10,12-15,21-24,26-27,29-32,41H,8,11,16-20,25,28,33-36,52H2,1-4H3,(H2-,53,56,57,58,59,60,61)/t41-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C51H62N4O6S
Molecular Weight	859.126
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	4
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 21:15:02 GMT 2025` Edited by `admin` on `Mon Mar 31 21:15:02 GMT 2025`
Record UNII	EB209588AV
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(DE-(4-SULFOBUTYL))-(4-(N6-LYSINYLBUTYL))-INDOCYANINE GREEN

Common Name

English

INDOCYANINE GREEN LYSINE

Preferred Name

English

4-(2-((1E,3E,5E,7Z)-7-(3-(6-(((S)-5-AMINO-5-CARBOXYPENTYL)AMINO)-6-OXOHEXYL)-1,1-DIMETHYL-1,3-DIHYDRO-2H-BENZO(E)INDOL-2-YLIDENE)HEPTA-1,3,5-TRIEN-1-YL)-1,1-DIMETHYL-1H-BENZO(E)INDOL-3-IUM-3-YL)BUTANE-1-SULFONATE

Systematic Name

English

Code System Code Type Description

PUBCHEM

121492796

Created by admin on Mon Mar 31 21:15:02 GMT 2025 , Edited by admin on Mon Mar 31 21:15:02 GMT 2025

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FDA UNII

EB209588AV

Created by admin on Mon Mar 31 21:15:02 GMT 2025 , Edited by admin on Mon Mar 31 21:15:02 GMT 2025

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