TIAMULIN FUMARATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C28H47NO4S.C4H4O4
Molecular Weight	609.814
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC(=O)\C=C\C(O)=O.[H][C@@]12C(=O)CC[C@]13CC[C@@H](C)[C@@]2(C)[C@@H](C[C@@](C)(C=C)[C@@H](O)[C@@H]3C)OC(=O)CSCCN(CC)CC

InChI

InChIKey=YXQXDXAHCSEVSD-GCYNEOGWSA-N

InChI=1S/C28H47NO4S.C4H4O4/c1-8-26(6)17-22(33-23(31)18-34-16-15-29(9-2)10-3)27(7)19(4)11-13-28(20(5)25(26)32)14-12-21(30)24(27)28;5-3(6)1-2-4(7)8/h8,19-20,22,24-25,32H,1,9-18H2,2-7H3;1-2H,(H,5,6)(H,7,8)/b;2-1+/t19-,20+,22-,24+,25+,26-,27+,28+;/m1./s1

HIDE SMILES / InChI

Molecular Formula	C28H47NO4S
Molecular Weight	493.742
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	8 / 8
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	C4H4O4
Molecular Weight	116.0722
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:48:24 UTC 2023` Edited by `admin` on `Fri Dec 15 15:48:24 UTC 2023`
Record UNII	ION1Q02ZCX
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TIAMULIN FUMARATE

Official Name

English

SQ 22947

Code

English

TIAMULIN FUMARATE [USAN]

Common Name

English

((2-(DIETHYLAMINO)ETHYL)THIO)ACETIC ACID 8-ESTER WITH (3AS,4R,5S,6S,8R,9R,9AR,10R)-OCTAHYDRO-5,8-DIHYDROXY-4,6,9,10-TETRAMETHYL-6-VINYL-3A,9-PROPANO-3AH-CYCLOPENTACYCLOOCTEN-1(4H)-ONE FUMARATE (1:1) (SALT)

Common Name

English

TIAMULIN HYDROGEN FUMARATE [GREEN BOOK]

Common Name

English

TIAMULIN FUMARATE [MI]

Common Name

English

TIAMULIN FUMARATE [USP-RS]

Common Name

English

TIAMULIN FUMARATE [USP MONOGRAPH]

Common Name

English

SQ-22947

Code

English

((2-(DIETHYLAMINO)ETHYL)THIO)-, 6-ETHENYLDECAHYDRO-5-HYDROXY-4,6,9,10-TETRAMETHYL-1-OXO-3A,9-PROPANO-3AH-CYCLOPENTACYCLOOCTEN-8-YL ESTER (3AS-(3A.ALPHA.,4.BETA.,5.ALPHA.,6.ALPHA.,8.BETA.,9.ALPHA.,9A.BETA.,10S*))-, (E)-2-BUTENEDIOATE (1:1) (SALT)

Common Name

English

TIAMULIN HYDROGEN FUMARATE

Common Name

English

TIAMULIN FUMARATE [MART.]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C258