OMADACYCLINE TOSYLATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C29H40N4O7.C7H8O3S
Molecular Weight	728.852
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC1=CC=C(C=C1)S(O)(=O)=O.[H][C@@]23CC4=C(C=C(CNCC(C)(C)C)C(O)=C4C(=O)C2=C(O)[C@]5(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@]5([H])C3)N(C)C

InChI

InChIKey=SETFNHZTVGTBHC-XGLFQKEBSA-N

InChI=1S/C29H40N4O7.C7H8O3S/c1-28(2,3)12-31-11-14-10-17(32(4)5)15-8-13-9-16-21(33(6)7)24(36)20(27(30)39)26(38)29(16,40)25(37)18(13)23(35)19(15)22(14)34;1-6-2-4-7(5-3-6)11(8,9)10/h10,13,16,21,31,34,36-37,40H,8-9,11-12H2,1-7H3,(H2,30,39);2-5H,1H3,(H,8,9,10)/t13-,16-,21-,29-;/m0./s1

HIDE SMILES / InChI

Molecular Formula	C7H8O3S
Molecular Weight	172.202
Charge	0
Count

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

Molecular Formula	C29H40N4O7
Molecular Weight	556.6505
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 18:25:38 UTC 2023` Edited by `admin` on `Fri Dec 15 18:25:38 UTC 2023`
Record UNII	5658Y89YCD
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

OMADACYCLINE TOSYLATE

Official Name

English

OMADACYCLINE TOSYLATE [MI]

Common Name

English

PTK-0796

Code

English

OMADACYCLINE TOSILATE

Common Name

English

2-NAPHTHACENECARBOXAMIDE, 4,7-BIS(DIMETHYLAMINO)-9-(((2,2- DIMETHYLPROPYL)AMINO)METHYL)-1,4,4A,5,5A,6,11,12A-OCTAHYDRO-3,10,12,12A- TETRAHYDROXY-1,11-DIOXO-, (4S,4AS,5AR,12AS)-, 4-METHYLBENZENESULFONATE (1:1)

Common Name

English

Omadacycline tosilate [WHO-DD]

Common Name

English

OMADACYCLINE TOSYLATE [ORANGE BOOK]

Common Name

English

PTK 0796

Code

English

NUZYRA

Brand Name

English

OMADACYCLINE TOSYLATE [USAN]

Common Name

English

(4S,4AS,5AR,12AS)-4,7-BIS(DIMETHYLAMINO)-9-(((2,2-DIMETHYLPROPYL)AMINO)METHYL)- 3,10,12,12A- TETRAHYDROXY-1,11-DIOXO-1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-2- CARBOXAMIDE MONO(4-METHYBENZENESULFONATE) (SALT)

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C258