Ergotamine tartrate RS - * Drug Precursor
Product Code
ICRS0297
CAS Number
Product Format
Neat
Molecular Formula
2 C33 H35 N5 O5 . C4 H6 O6
Molecular Weight
1313.41
API Family
See respective official monograph(s)Product Categories
Product Type
APIPrice and availability
Product Information
Product Data
Analyte Name
Ergotamine Tartrate
CAS Number
379-79-3
Molecular Formula
2 C33 H35 N5 O5 . C4 H6 O6
Molecular Weight
1313.41
Accurate Mass
1312.544
SMILES
CN1C[C@@H](C=C2[C@H]1Cc3c[nH]c4cccc2c34)C(=O)N[C@]5(C)O[C@@]6(O)[C@@H]7CCCN7C(=O)[C@H](Cc8ccccc8)N6C5=O.CN9C[C@@H](C=C%10[C@H]9Cc%11c[nH]c%12cccc%10c%11%12)C(=O)N[C@]%13(C)O[C@@]%14(O)[C@@H]%15CCCN%15C(=O)[C@H](Cc%16ccccc%16)N%14C%13=O.O[C@H]([C@@H](O)C(=O)O)C(=O)O
InChI
1-2,5-6H,(H,7,8)(H,9,10)/t2*21-,25-,26+,27+,32-,33+, 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-/m111/s1
Storage & Transport Information
Country of Origin
FRANCE
Product Attributes
Product Type
API
Product Format
Neat
API Family
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