CRX-560

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C87H163N2O19P
Molecular Weight	1572.2009
Optical Activity	UNSPECIFIED
Defined Stereocenters	9 / 9
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCCCCCCCCCC[C@H](CC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](OP(O)(O)=O)[C@H](OC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)[C@H]1NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)C(O)=O)OC(=O)CCCCCCCCCCC

InChI

InChIKey=SONREIMFTLIQMT-WDOKLUTQSA-N

InChI=1S/C87H163N2O19P/c1-7-13-19-25-31-37-43-49-55-61-72(103-79(93)64-58-52-46-40-34-28-22-16-10-4)67-77(91)88-75(86(97)98)71-102-87-83(89-78(92)68-73(62-56-50-44-38-32-26-20-14-8-2)104-80(94)65-59-53-47-41-35-29-23-17-11-5)85(84(76(70-90)106-87)108-109(99,100)101)107-82(96)69-74(63-57-51-45-39-33-27-21-15-9-3)105-81(95)66-60-54-48-42-36-30-24-18-12-6/h72-76,83-85,87,90H,7-71H2,1-6H3,(H,88,91)(H,89,92)(H,97,98)(H2,99,100,101)/t72-,73-,74-,75+,76-,83-,84-,85-,87-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C87H163N2O19P
Molecular Weight	1572.2009
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	9 / 9
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 23:30:22 GMT 2025` Edited by `admin` on `Mon Mar 31 23:30:22 GMT 2025`
Record UNII	1A61V86K1C
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CRX-560

Common Name

English

DODECANOIC ACID, (1R)-1-(2-(((1S)-1-CARBOXY-2-((2-DEOXY-3-O-((3R)-1-OXO-3-((1-OXODODECYL)OXY)TETRADECYL)-2-(((3R)-1-OXO-3-((1-OXODODECYL)OXY)TETRADECYL)AMINO)-4-O-PHOSPHONO-.BETA.-D-GLUCOPYRANOSYL)OXY)ETHYL)AMINO)-2-OXOETHYL)DODECYL ESTER

Preferred Name

English

Code System Code Type Description

CAS

216013-87-5

Created by admin on Mon Mar 31 23:30:22 GMT 2025 , Edited by admin on Mon Mar 31 23:30:22 GMT 2025

PRIMARY

FDA UNII

1A61V86K1C

Created by admin on Mon Mar 31 23:30:22 GMT 2025 , Edited by admin on Mon Mar 31 23:30:22 GMT 2025

PRIMARY

CAS

854918-50-6

Created by admin on Mon Mar 31 23:30:22 GMT 2025 , Edited by admin on Mon Mar 31 23:30:22 GMT 2025

SUPERSEDED

PUBCHEM

11159255

Created by admin on Mon Mar 31 23:30:22 GMT 2025 , Edited by admin on Mon Mar 31 23:30:22 GMT 2025

PRIMARY

Related Record Type Details


					1A61V86K1C

CRX-560

ACTIVE MOIETY