ERGOTAMINE TARTRATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	2C33H35N5O5.C4H6O6
Molecular Weight	1313.4098
Optical Activity	UNSPECIFIED
Defined Stereocenters	14 / 14
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

O[C@H]([C@@H](O)C(O)=O)C(O)=O.[H][C@@]12CCCN1C(=O)[C@H](CC3=CC=CC=C3)N4C(=O)[C@](C)(NC(=O)[C@H]5CN(C)[C@]6([H])CC7=CNC8=C7C(=CC=C8)C6=C5)O[C@@]24O.[H][C@@]9%10CCCN9C(=O)[C@H](CC%11=CC=CC=C%11)N%12C(=O)[C@](C)(NC(=O)[C@H]%13CN(C)[C@]%14([H])CC%15=CNC%16=C%15C(=CC=C%16)C%14=C%13)O[C@@]%10%12O

InChI

InChIKey=CJMJLDQKTOJACI-BGQAIRJTSA-N

InChI=1S/2C33H35N5O5.C4H6O6/c2*1-32(35-29(39)21-15-23-22-10-6-11-24-28(22)20(17-34-24)16-25(23)36(2)18-21)31(41)38-26(14-19-8-4-3-5-9-19)30(40)37-13-7-12-27(37)33(38,42)43-32;5-1(3(7)8)2(6)4(9)10/h2*3-6,8-11,15,17,21,25-27,34,42H,7,12-14,16,18H2,1-2H3,(H,35,39);1-2,5-6H,(H,7,8)(H,9,10)/t2*21-,25-,26+,27+,32-,33+;1-,2-/m111/s1

HIDE SMILES / InChI

Molecular Formula	C33H35N5O5
Molecular Weight	581.6615
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 6
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	C4H6O6
Molecular Weight	150.0868
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:36:07 UTC 2023` Edited by `admin` on `Fri Dec 15 15:36:07 UTC 2023`
Record UNII	MRU5XH3B48
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ERGOTAMINE TARTRATE

Common Name

English

ERGOSTAT

Brand Name

English

ERGOTAMINE TARTRATE [ORANGE BOOK]

Common Name

English

MEDIHALER ERGOTAMINE

Brand Name

English

ERGOTAMINE TARTRATE [USP IMPURITY]

Common Name

English

Ergotamine tartrate [WHO-DD]

Common Name

English

GOTAMINE TARTRATE

Common Name

English

ERGOTAMINE TARTRATE [MART.]

Common Name

English

ERGOTAMINE TARTRATE [VANDF]

Common Name

English

ERGOTAMINE TARTRATE [WHO-IP]

Common Name

English

ERGOTAMINE TARTRATE COMPONENT OF MIGERGOT

Common Name

English

WIGRAINE COMPONENT ERGOTAMINE TARTRATE

Common Name

English

CAFERGOT COMPONENT ERGOTAMINE TARTRATE

Common Name

English

GYNERGEN

Brand Name

English

ERGOTAMINE TARTRATE COMPONENT OF CAFERGOT

Common Name

English

ERGOTAMINE TARTRATE [MI]

Common Name

English

ERGOMAR

Brand Name

English

WIGRETTES

Brand Name

English

ERGOTAMINE TARTRATE [USP-RS]

Common Name

English

ERGOTAMAN-3',6',18-TRIONE, 12'-HYDROXY-2'-METHYL-5'-(PHENYLMETHYL)-, (5'.ALPHA.)-, (R-(R*,R*))-2,3-DIHYDROXYBUTANEDIOATE (2:1) (SALT)

Common Name

English

ERGOTAMINE D-TARTRATE

Common Name

English

LINGRAINE

Brand Name

English

ERGOTAMINE TARTRATE [JAN]

Common Name

English

NSC-41869

Code

English

ERGOTAMINE TARTRATE COMPONENT OF WIGRAINE

Common Name

English

MIGERGOT COMPONENT ERGOTAMINE TARTRATE

Common Name

English

ERGOTAMINE TARTRATE [USP MONOGRAPH]

Common Name

English

ERGOTAMINE BITARTRATE

Common Name

English

ERGOTAMINI TARTRAS [WHO-IP LATIN]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C47794