Premarin
[CAS# 481-97-0]

Identification

• Name: Premarin
• Synonyms: Sodium [(8R,9S,13S,14S)-17-Keto-13-Methyl-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[A]Phenanthren-3-Yl] Sulfate; 1,3,5(10)-Estratrien-3-Ol-17-One Sulphate, Sodium Salt; Mls000069757
• Molecular Formula: C₁₈H₂₁NaO₅S
• Molecular Weight: 372.41
• CAS Registry Number: 481-97-0
• EINECS: 207-575-9
• SMILES: [C@H]23[C@@H](C1=C(C=C(O[S](=O)(=O)[O-])C=C1)CC2)CC[C@]4([C@H]3CCC4=O)C.[Na+]
• InChI: 1S/C18H22O5S.Na/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19;/h3,5,10,14-16H,2,4,6-9H2,1H3,(H,20,21,22);/q;+1/p-1/t14-,15-,16+,18+;/m1./s1
• InChIKey: VUCAHVBMSFIGAI-ZFINNJDLSA-M