Dihydro-α-ergocryptine mesylate
CAS Registry Number®
14271-05-7
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CAS Name
Dihydro-α-ergocryptine mesylateMolecular Formula
C32H43N5O5.CH4O3SCite this Page
Dihydro-α-ergocryptine mesylate. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=14271-05-7 (retrieved ) (CAS RN: 14271-05-7). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C32H43N5O5.CH4O3S/c1-17(2)12-25-29(39)36-11-7-10-26(36)32(41)37(25)30(40)31(42-32,18(3)4)34-28(38)20-13-22-21-8-6-9-23-27(21)19(15-33-23)14-24(22)35(5)16-20;1-5(2,3)4/h6,8-9,15,17-18,20,22,24-26,33,41H,7,10-14,16H2,1-5H3,(H,34,38);1H3,(H,2,3,4)/t20-,22-,24-,25+,26+,31-,32+;/m1./s1
InChIKey
InChIKey=TZGKQIBPZOZAKF-PJLVGBPESA-N
SMILES
O[C@@]12N([C@@H](CC(C)C)C(=O)N3[C@]1(CCC3)[H])C(=O)[C@@](NC(=O)[C@@H]4C[C@@]5(C=6C=7C(C[C@]5(N(C)C4)[H])=CNC7C=CC6)[H])([C@@H](C)C)O2.S(C)(=O)(=O)O
Canonical SMILES
O=C(NC1(OC2(O)N(C1=O)C(C(=O)N3CCCC32)CC(C)C)C(C)C)C4CN(C)C5CC6=CNC7=CC=CC(=C76)C5C4.O=S(=O)(O)C
Other Names for this Substance
- Ergotaman-3′,6′,18-trione, 9,10-dihydro-12′-hydroxy-2′-(1-methylethyl)-5′-(2-methylpropyl)-, (5α,10α)-, methanesulfonate (1:1)
- Ergotaman-3′,6′,18-trione, 9,10-dihydro-12′-hydroxy-2′-(1-methylethyl)-5′-(2-methylpropyl)-, (5′α,10α)-, monomethanesulfonate (salt)
- Ergocryptine, dihydro-, methanesulfonate
- 8H-Oxazolo[3,2-a]pyrrolo[2,1-c]pyrazine, ergotaman-3′,6′,18-trione deriv.
- Indolo[4,3-fg]quinoline, ergotaman-3′,6′,18-trione deriv.
Deleted or Replaced CAS Registry Numbers
73465-92-6
