APROSULATE SODIUM

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C27H34N2O70S16.16Na
Molecular Weight	2387.407
Optical Activity	UNSPECIFIED
Defined Stereocenters	18 / 18
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[H][C@@]2(O[C@H]([C@@H](COS([O-])(=O)=O)OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)C(=O)NCCCNC(=O)[C@H](OS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](O[C@]1([H])O[C@H](COS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@H]1OS([O-])(=O)=O)[C@@H](COS([O-])(=O)=O)OS([O-])(=O)=O)O[C@H](COS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@H]2OS([O-])(=O)=O

InChI

InChIKey=CXKOATPJKFZCEL-HPXJARCXSA-A

InChI=1S/C27H50N2O70S16.16Na/c30-24(20(96-112(68,69)70)16(92-108(56,57)58)12(10(88-104(44,45)46)6-82-102(38,39)40)86-26-22(98-114(74,75)76)18(94-110(62,63)64)14(90-106(50,51)52)8(84-26)4-80-100(32,33)34)28-2-1-3-29-25(31)21(97-113(71,72)73)17(93-109(59,60)61)13(11(89-105(47,48)49)7-83-103(41,42)43)87-27-23(99-115(77,78)79)19(95-111(65,66)67)15(91-107(53,54)55)9(85-27)5-81-101(35,36)37;;;;;;;;;;;;;;;;/h8-23,26-27H,1-7H2,(H,28,30)(H,29,31)(H,32,33,34)(H,35,36,37)(H,38,39,40)(H,41,42,43)(H,44,45,46)(H,47,48,49)(H,50,51,52)(H,53,54,55)(H,56,57,58)(H,59,60,61)(H,62,63,64)(H,65,66,67)(H,68,69,70)(H,71,72,73)(H,74,75,76)(H,77,78,79);;;;;;;;;;;;;;;;/q;16*+1/p-16/t8-,9-,10-,11-,12-,13-,14+,15+,16+,17+,18+,19+,20-,21-,22-,23-,26+,27+;;;;;;;;;;;;;;;;/m1................/s1

HIDE SMILES / InChI

Molecular Formula	Na
Molecular Weight	22.9898
Charge	1
Count

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

Molecular Formula	C27H34N2O70S16
Molecular Weight	2019.57
Charge	-16
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	18 / 18
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:13:47 UTC 2023` Edited by `admin` on `Fri Dec 15 16:13:47 UTC 2023`
Record UNII	311154J4LN
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

APROSULATE SODIUM

Official Name

English

aprosulate sodium [INN]

Common Name

English

N,N'-TRIMETHYLENEBIS(ACTOBIONAMIDE)HEXADECAKIS(SODIUM SULFATE) (ESTER)

Common Name

English

N,N'-TRIMETHYLENEBIS(ACTOBIONAMIDE)HEXADECAKIS(SODIUM SULPHATE) (ESTER)

Common Name

English

D-GLUCONAMIDE, N,N'-1,3-PROPANEDIYL-BIS(4-O-(2,3,4,6-TETRA-O-SULFO-.BETA.-D-GALACTOPYRANOSYL)-, 2,2',3,3',5,5',6,6'- OCTAKIS(HYDROGEN SULFATE), HEXADECASODIUM SALT

Common Name

English

D-GLUCONAMIDE, N,N'-1,3-PROPANEDIYL-BIS(4-O-(2,3,4,6-TETRA-O-SULPHO-.BETA.-D-GALACTOPYRANOSYL)-, 2,2',3,3',5,5',6,6'- OCTAKIS(HYDROGEN SULPHATE), HEXADECASODIUM SALT

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C263