CRX-526

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C69H127N2O19P
Molecular Weight	1319.7224
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)CCCCC)[C@H]1NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCC)C(O)=O)OC(=O)CCCCC

InChI

InChIKey=PRIXXGNJDNLMBH-DPGPRPECSA-N

InChI=1S/C69H127N2O19P/c1-7-13-19-22-25-28-31-34-40-43-54(85-61(75)46-37-16-10-4)49-59(73)70-57(68(79)80)53-84-69-65(71-60(74)50-55(86-62(76)47-38-17-11-5)44-41-35-32-29-26-23-20-14-8-2)67(66(58(52-72)88-69)90-91(81,82)83)89-64(78)51-56(87-63(77)48-39-18-12-6)45-42-36-33-30-27-24-21-15-9-3/h54-58,65-67,69,72H,7-53H2,1-6H3,(H,70,73)(H,71,74)(H,79,80)(H2,81,82,83)/t54-,55-,56-,57+,58-,65-,66-,67-,69-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C69H127N2O19P
Molecular Weight	1319.7224
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 `Sat Dec 16 10:05:31 GMT 2023` Edited by `admin` on `Sat Dec 16 10:05:31 GMT 2023`
Record UNII	8NLO017HHA
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CRX-526

Common Name

English

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

Systematic Name

English

Code System Code Type Description

CAS

245515-64-4

Created by admin on Sat Dec 16 10:05:31 GMT 2023 , Edited by admin on Sat Dec 16 10:05:31 GMT 2023

PRIMARY

CAS

854916-69-1

Created by admin on Sat Dec 16 10:05:31 GMT 2023 , Edited by admin on Sat Dec 16 10:05:31 GMT 2023

SUPERSEDED

FDA UNII

8NLO017HHA

Created by admin on Sat Dec 16 10:05:31 GMT 2023 , Edited by admin on Sat Dec 16 10:05:31 GMT 2023

PRIMARY

PUBCHEM

24849153

Created by admin on Sat Dec 16 10:05:31 GMT 2023 , Edited by admin on Sat Dec 16 10:05:31 GMT 2023

PRIMARY

Related Record Type Details


					8NLO017HHA

CRX-526

ACTIVE MOIETY