LASALOCID SODIUM

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C34H53O8.Na
Molecular Weight	612.7696
Optical Activity	UNSPECIFIED
Defined Stereocenters	10 / 10
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Na+].[H][C@@]1(O[C@@](CC)(C[C@@H]1C)[C@@]2([H])CC[C@](O)(CC)[C@H](C)O2)[C@@H](CC)C(=O)[C@@H](C)[C@@H](O)[C@H](C)CCC3=C(C([O-])=O)C(O)=C(C)C=C3

InChI

InChIKey=RDHDUYAKDYQPEW-HWLWSTNVSA-M

InChI=1S/C34H54O8.Na/c1-9-25(31-21(6)18-34(11-3,42-31)26-16-17-33(40,10-2)23(8)41-26)30(37)22(7)28(35)19(4)12-14-24-15-13-20(5)29(36)27(24)32(38)39;/h13,15,19,21-23,25-26,28,31,35-36,40H,9-12,14,16-18H2,1-8H3,(H,38,39);/q;+1/p-1/t19-,21+,22+,23+,25+,26-,28+,31+,33-,34+;/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	C34H53O8
Molecular Weight	589.7798
Charge	-1
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	10 / 10
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:04:05 UTC 2023` Edited by `admin` on `Fri Dec 15 16:04:05 UTC 2023`
Record UNII	W2S5C71Y3G
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

LASALOCID SODIUM

Common Name

English

LASALOCID SODIUM [GREEN BOOK]

Common Name

English

NSC-243046

Code

English

BENZOIC ACID, 6-((3R,4S,5S,7R)-7-((2S,3S,5S)-5-ETHYL-5-((2R,5R,6S)-5-ETHYLTETRAHYDRO-5-HYDROXY-6-METHYL-2H-PYRAN-2-YL)TETRAHYDRO-3-METHYL-2-FURANYL)-4-HYDROXY-3,5-DIMETHYL-6-OXONONYL)-2-HYDROXY-3-METHYL-, SODIUM SALT (1:1)

Common Name

English

LASALOCID SODIUM [MART.]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C258