TETRACYCLINE 4-GUAIACOLSULFONATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H24N2O8.C7H8O5S
Molecular Weight	648.635
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of TETRACYCLINE 4-GUAIACOLSULFONATE

Structure Search

SMILES

COC1=CC(=CC=C1O)S(O)(=O)=O.[H][C@@]23C[C@@]4([H])C(C(=O)C5=C(C=CC=C5O)[C@@]4(C)O)=C(O)[C@]2(O)C(=O)C(C(N)=O)=C(O)[C@H]3N(C)C

InChI

InChIKey=FNKGGRNGAXFRPG-FMZCEJRJSA-N

InChI=1S/C22H24N2O8.C7H8O5S/c1-21(31)8-5-4-6-11(25)12(8)16(26)13-9(21)7-10-15(24(2)3)17(27)14(20(23)30)19(29)22(10,32)18(13)28;1-12-7-4-5(13(9,10)11)2-3-6(7)8/h4-6,9-10,15,25,27-28,31-32H,7H2,1-3H3,(H2,23,30);2-4,8H,1H3,(H,9,10,11)/t9-,10-,15-,21+,22-;/m0./s1

HIDE SMILES / InChI

Molecular Formula	C7H8O5S
Molecular Weight	204.2
Charge	0
Count

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

Molecular Formula	C22H24N2O8
Molecular Weight	444.4346
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 18:47:53 UTC 2023` Edited by `admin` on `Fri Dec 15 18:47:53 UTC 2023`
Record UNII	05T77P89WE
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TETRACYCLINE 4-GUAIACOLSULFONATE

Common Name

English

4-HYDROXY-3-METHOXYBENZENESULFONIC ACID, (2Z,4S,4AS,5AS,6R,12AS)-2-(AMINO(HYDROXY)METHYLIDENE)-4-(DIMETHYLAMINO)-6,10,11,12A-TETRAHYDROXY-6-METHYL-4A,5A,6,12A-TETRAHYDROTETRACENE-1,3,12(2H,4H,5H)-TRIONE (1:1)

Common Name

English

Code System Code Type Description

FDA UNII

05T77P89WE

Created by admin on Fri Dec 15 18:47:53 UTC 2023 , Edited by admin on Fri Dec 15 18:47:53 UTC 2023

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PUBCHEM

71300435

Created by admin on Fri Dec 15 18:47:53 UTC 2023 , Edited by admin on Fri Dec 15 18:47:53 UTC 2023

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CAS