CELESTICETIN SALICYLATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C24H36N2O9S.C7H6O3
Molecular Weight	666.736
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC(=O)C1=C(O)C=CC=C1.[H][C@@](NC(=O)[C@@H]2CCCN2C)([C@@H](C)OC)[C@@]3([H])O[C@H](SCCOC(=O)C4=C(O)C=CC=C4)[C@H](O)[C@@H](O)[C@H]3O

InChI

InChIKey=AWDLUSYVMFSMPH-RXBYAXNRSA-N

InChI=1S/C24H36N2O9S.C7H6O3/c1-13(33-3)17(25-22(31)15-8-6-10-26(15)2)21-19(29)18(28)20(30)24(35-21)36-12-11-34-23(32)14-7-4-5-9-16(14)27;8-6-4-2-1-3-5(6)7(9)10/h4-5,7,9,13,15,17-21,24,27-30H,6,8,10-12H2,1-3H3,(H,25,31);1-4,8H,(H,9,10)/t13-,15+,17-,18+,19-,20-,21-,24-;/m1./s1

HIDE SMILES / InChI

Molecular Formula	C24H36N2O9S
Molecular Weight	528.616
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	8 / 8
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	C7H6O3
Molecular Weight	138.1207
Charge	0
Count

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

Approval Year

PubMed

Title	Date	PubMed
Screening for new compounds with antiherpes activity.	1984 Oct	6517562

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:16:37 GMT 2023` Edited by `admin` on `Sat Dec 16 09:16:37 GMT 2023`
Record UNII	R7M989I675
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CELESTICETIN SALICYLATE

Common Name

English

D-ERYTHRO-.ALPHA.-D-GALACTO-OCTOPYRANOSIDE, 2-((2-HYDROXYBENZOYL)OXY)ETHYL 6,8-DIDEOXY-7-O-METHYL-6-((((2S)-1-METHYL-2-PYRROLIDINYL)CARBONYL)AMINO)-1-THIO-, SALICYLATE

Common Name

English

CELESTICETIN SALICYLATE [MI]

Common Name

English

Code System Code Type Description

CAS

5333-75-5