Cas no 379-79-3 (ERGOTAMINE TARTRATE)

ERGOTAMINE TARTRATE structure
ERGOTAMINE TARTRATE structure
Product Name:ERGOTAMINE TARTRATE
CAS No:379-79-3
MF:C70H76N10O16
MW:1313.40985774994
CID:94984
PubChem ID:9787
Update Time:2025-04-18

ERGOTAMINE TARTRATE Chemical and Physical Properties

Names and Identifiers

    • ERGOTAMINE TARTRATE
    • ERGOTAMINE D-TARTRATE
    • Ergotartrat
    • Etin
    • Exmigra
    • Femergin
    • Gotamine tartrate
    • Gynergen
    • Gynergin
    • Lingraine
    • Lingran
    • Medihaler ergotamine
    • NSC 41869
    • Neo-Ergotin
    • Rigetamin
    • Secagyn
    • Secupan
    • ERGOTAMINE TARTRATE (USP IMPURITY)
    • Ergotaman-3',6',18-trione, 12'-hydroxy-2'-methyl-5'-(phenylmethyl)-, (5'alpha)-, (2R,3R)-2,3-dihydroxybutanedioate (2:1) (salt)
    • Ergotamine, tartrate (1:1) salt
    • ERGOTAMINE TARTRATE [WHO-IP]
    • ERGOTAMINE TARTRATE COMPONENT OF MIGERGOT
    • ERGOTAMINE TARTRATE (USP MONOGRAPH)
    • CAFERGOT COMPONENT ERGOTAMINE TARTRATE
    • NCGC00259254-01
    • WIGRAINE COMPONENT ERGOTAMINE TARTRATE
    • INDOLO(4,3-FG)QUINOLINE, ERGOTAMAN-3',6',18-TRIONE DERIV.
    • ERGOTAMINE TARTRATE [WHO-DD]
    • DTXSID3025253
    • Tox21_201705
    • ERGOTAMINE TARTRATE [USP IMPURITY]
    • ERGOTAMINE TARTRATE [VANDF]
    • Ergotaman-3',6',18-trione, 12'-hydroxy-2'-methyl-5'-(phenylmethyl)-,(5'alpha)-,(2R,3R)-2,3-dihydroxybutanedioate(2:1)(salt)
    • Ergotamine tartrate (VAN)
    • NSC41869
    • SCHEMBL134885
    • NSC-41869
    • DTXCID605253
    • ERGOTAMINE TARTRATE [USP-RS]
    • 379-79-3
    • ERGOTAMINE TARTRATE [JAN]
    • CAS-379-79-3
    • Ergotamine tartrate [USP:JAN]
    • NCGC00091935-01
    • EINECS 206-835-9
    • ERGOTAMINE TARTRATE [USP MONOGRAPH]
    • Ergotamine hemitartrate
    • Ergotamine, tartrate (2:1) (salt)
    • CCRIS 487
    • Ergotamine tartrate (2:1) (salt)
    • Tox21_111183
    • GOTAMINE
    • ERGOTAMINE TARTRATE COMPONENT OF WIGRAINE
    • ERGOTAMINE TARTRATE [ORANGE BOOK]
    • Ergotamine D-tartrate, tested according to Ph.Eur.
    • Cornutamin
    • Tartrate, Ergotamine
    • Tox21_303182
    • Wigrettes
    • Ergotamine, tartrate
    • Ergotamine bitartrate
    • MRU5XH3B48
    • MIGERGOT COMPONENT ERGOTAMINE TARTRATE
    • Ergotamine, tartrate (2:1)
    • 8H-OXAZOLO(3,2-A)PYRROLO(2,1-C)PYRAZINE, ERGOTAMAN-3',6',18-TRIONE DERIV.
    • Ergam
    • ERGOTAMAN-3',6',18-TRIONE, 12'-HYDROXY-2'-METHYL-5'-(PHENYLMETHYL)-, (5'.ALPHA.)-, (R-(R*,R*))-2,3-DIHYDROXYBUTANEDIOATE (2:1) (SALT)
    • Ergotartrate
    • Migretamine
    • ERGOTAMINE TARTRATE COMPONENT OF CAFERGOT
    • (5'S)-5'-Benzyl-12'-hydroxy-2'-methylergotaman-3',6',18-trione hemitartrate
    • component of Cafergot
    • ERGOTAMINE, TARTRATE(2:1)(SALT)
    • ERGOTAMINE TARTRATE (USP-RS)
    • Ergotamine Tartrate (2:1)
    • ERGOTAMAN-3',6',18-TRIONE, 12'-HYDROXY-2'-METHYL-5'-(PHENYLMETHYL)-,(5'ALPHA)-,(R-(R*,R*))-2,3-DIHYDROXYBUTANEDIOATE(2:1)(SALT)
    • Q27284199
    • Avetol
    • Ergomar
    • ERGOTAMINE TARTRATE (MART.)
    • NCGC00257225-01
    • ErgomarSublingual
    • Ergate
    • ERGOTAMINI TARTRAS [WHO-IP LATIN]
    • Ergotaman-3',6',18-trione, 12'-hydroxy-2'-methyl-5'-(phenylmethyl)-, (5'alpha)-, (R-(R*,R*))-2,3-dihydroxybutanedioate (2:1) (salt)
    • Ergotamine tartrate, United States Pharmacopeia (USP) Reference Standard, monograph mol wt. 1313.41 ((C33H35N5O5)2 ?? C4H6O6)
    • Ergotamine tartrate, European Pharmacopoeia (EP) Reference Standard
    • UNII-MRU5XH3B48
    • ERGOTAMINE TARTRATE [MI]
    • Ergotaman-3',6',18-trione, 12'-hydroxy-2'-methyl-5'-(phenylmethyl)-, (5alpha)-, (2R,3R)-2,3-dihydroxybutanedioate (2:1)
    • Ergostat
    • ERGOTAMINE TARTRATE [MART.]
    • CHEMBL2131781
    • MDL: MFCD00941466
    • 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
    • InChI Key: CJMJLDQKTOJACI-BGQAIRJTSA-N
    • SMILES: O1[C@](C)(C(N2[C@@H](CC3C=CC=CC=3)C(N3CCC[C@H]3[C@]12O)=O)=O)NC([C@@H]1C=C2C3C=CC=C4C=3C(=CN4)C[C@H]2N(C)C1)=O.O1[C@](C)(C(N2[C@@H](CC3C=CC=CC=3)C(N3CCC[C@H]3[C@]12O)=O)=O)NC([C@@H]1C=C2C3C=CC=C4C=3C(=CN4)C[C@H]2N(C)C1)=O.O[C@@H](C(=O)O)[C@H](C(=O)O)O

Computed Properties

  • Exact Mass: 731.28000
  • Monoisotopic Mass: 1312.54407637g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 7
  • Hydrogen Bond Acceptor Count: 16
  • Heavy Atom Count: 53
  • Rotatable Bond Count: 8
  • Complexity: 1350
  • Covalently-Bonded Unit Count: 3
  • Defined Atom Stereocenter Count: 14
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 352?2

Experimental Properties

  • Melting Point: 203 oC (decomposition)
  • PSA: 233.27000
  • LogP: 0.07280
  • Merck: 13,3696
  • Specific Rotation: D25 -125 to -155° (c = 0.4 in chloroform)

ERGOTAMINE TARTRATE Security Information

  • Hazardous Material transportation number:UN 1544 6
  • WGK Germany:3
  • Hazard Category Code: 23/24/25-62-63
  • Safety Instruction: S36/37
  • FLUKA BRAND F CODES:3-8-10
  • RTECS:KE8225000
  • Hazardous Material Identification: T
  • HazardClass:6.1(b)
  • PackingGroup:III
  • Packing Group:III
  • Hazard Level:6.1(b)
  • Risk Phrases:R23/24/25
  • Packing Group:III
  • Safety Term:6.1(b)

ERGOTAMINE TARTRATE Customs Data

  • HS CODE:2934999090
  • Customs Data:

    China Customs Code:

    2934999090

    Overview:

    2934999090. Other heterocyclic compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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