METHACYCLINE 5-SULFOSALICYLATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H22N2O8.C7H6O6S
Molecular Weight	660.603
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of METHACYCLINE 5-SULFOSALICYLATE

Structure Search

SMILES

OC(=O)C1=CC(=CC=C1O)S(O)(=O)=O.[H][C@@]23[C@@H](O)[C@]4([H])C(=C)C5=CC=CC(O)=C5C(=O)C4=C(O)[C@]2(O)C(=O)C(C(N)=O)=C(O)[C@H]3N(C)C

InChI

InChIKey=DTKXPIQFZWVUTQ-CCHMMTNSSA-N

InChI=1S/C22H22N2O8.C7H6O6S/c1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14,32)19(12)29;8-6-2-1-4(14(11,12)13)3-5(6)7(9)10/h4-6,10,14-15,17,25,27-29,32H,1H2,2-3H3,(H2,23,31);1-3,8H,(H,9,10)(H,11,12,13)/t10-,14-,15+,17+,22+;/m1./s1

HIDE SMILES / InChI

Molecular Formula	C7H6O6S
Molecular Weight	218.184
Charge	0
Count

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

Molecular Formula	C22H22N2O8
Molecular Weight	442.4187
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 5
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:05:14 UTC 2023` Edited by `admin` on `Fri Dec 15 15:05:14 UTC 2023`
Record UNII	A66FFJ6QXS
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

METHACYCLINE 5-SULFOSALICYLATE

Common Name

English

BENZOIC ACID, 2-HYDROXY-5-SULFO-, COMPD. WITH (4S-(4.ALPHA.,4A.ALPHA.,5.ALPHA.,5A.ALPHA.,12A.ALPHA.))-4-(DIMETHYLAMINO)-1,4,4A,5,5A,6,11,12A-OCTAHYDRO-3,5,10,12,12A-PENTAHYDROXY-6-METHYLENE-1,11-DIOXO-2-NAPHTHACENECARBOXAMIDE (1:1)

Systematic Name

English

2-NAPHTHACENECARBOXAMIDE, 4-(DIMETHYLAMINO)-1,4,4A,5,5A,6,11,12A-OCTAHYDRO-3,5,10,12,12A-PENTAHYDROXY-6-METHYLENE-1,11-DIOXO-, (4S-(4.ALPHA.,4A.ALPHA.,5.ALPHA.,5A.ALPHA.,12A.ALPHA.))-, MONO(2-HYDROXY-5-SULFOBENZOATE) (SALT)

Systematic Name

English

Code System Code Type Description

FDA UNII

A66FFJ6QXS

Created by admin on Fri Dec 15 15:05:14 UTC 2023 , Edited by admin on Fri Dec 15 15:05:14 UTC 2023

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CAS

24358-92-7

Created by admin on Fri Dec 15 15:05:14 UTC 2023 , Edited by admin on Fri Dec 15 15:05:14 UTC 2023

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