TETRACYCLINE 5-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 5-GUAIACOLSULFONATE

Structure Search

SMILES

COC1=CC=C(C=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=FYTZVRYEEIHOOY-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;1-12-7-3-2-5(4-6(7)8)13(9,10)11/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 `Sat Dec 16 09:05:19 GMT 2023` Edited by `admin` on `Sat Dec 16 09:05:19 GMT 2023`
Record UNII	309K9YBF0T
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TETRACYCLINE 5-GUAIACOLSULFONATE

Common Name

English

BENZENESULFONIC ACID, 3-HYDROXY-4-METHOXY-, COMPD. WITH (4S,4AS,5AS,6S,12AS)-4-(DIMETHYLAMINO)-1,4,4A,5,5A,6,11,12A-OCTAHYDRO-3,6,10,12,12A-PENTAHYDROXY-6-METHYL-1,11-DIOXO-2-NAPHTHACENECARBOXAMIDE (1:1)

Systematic Name

English

Code System Code Type Description

CAS

37411-91-9

Created by admin on Sat Dec 16 09:05:19 GMT 2023 , Edited by admin on Sat Dec 16 09:05:19 GMT 2023

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FDA UNII

309K9YBF0T

Created by admin on Sat Dec 16 09:05:19 GMT 2023 , Edited by admin on Sat Dec 16 09:05:19 GMT 2023

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PUBCHEM

86278177

Created by admin on Sat Dec 16 09:05:19 GMT 2023 , Edited by admin on Sat Dec 16 09:05:19 GMT 2023

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