CELESTICETIN OXALATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C24H36N2O9S.C2H2O4
Molecular Weight	618.651
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC(=O)C(O)=O.[H][C@@](NC(=O)[C@@H]1CCCN1C)([C@@H](C)OC)[C@@]2([H])O[C@H](SCCOC(=O)C3=C(O)C=CC=C3)[C@H](O)[C@@H](O)[C@H]2O

InChI

InChIKey=FIADQATYLSENNU-RXBYAXNRSA-N

InChI=1S/C24H36N2O9S.C2H2O4/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;3-1(4)2(5)6/h4-5,7,9,13,15,17-21,24,27-30H,6,8,10-12H2,1-3H3,(H,25,31);(H,3,4)(H,5,6)/t13-,15+,17-,18+,19-,20-,21-,24-;/m1./s1

HIDE SMILES / InChI

Molecular Formula	C2H2O4
Molecular Weight	90.0349
Charge	0
Count

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

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

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 08:18:54 GMT 2023` Edited by `admin` on `Sat Dec 16 08:18:54 GMT 2023`
Record UNII	5U48D251GC
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CELESTICETIN OXALATE

Common Name

English

CELESTICETIN, OXALATE (1:1) (SALT)

Common Name

English

CELESTICETIN OXALATE [MI]

Common Name

English

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

Systematic Name

English

Code System Code Type Description

CAS

5853-06-5