2-Propenamide, 3-(4-chlorophenyl)-N-[(5α)-17-(cyclopropylmethyl)-4,5-epoxy-3-hydroxy-6-oxomorphinan-14-yl]-, methanesulfonate (1:1)
CAS Registry Number®
117332-69-1
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CAS Name
2-Propenamide, 3-(4-chlorophenyl)-N-[(5α)-17-(cyclopropylmethyl)-4,5-epoxy-3-hydroxy-6-oxomorphinan-14-yl]-, methanesulfonate (1:1)Molecular Formula
C29H29ClN2O4.CH4O3SCite this Page
2-Propenamide, 3-(4-chlorophenyl)-N-[(5α)-17-(cyclopropylmethyl)-4,5-epoxy-3-hydroxy-6-oxomorphinan-14-yl]-, methanesulfonate (1:1). CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=117332-69-1 (retrieved ) (CAS RN: 117332-69-1). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C29H29ClN2O4.CH4O3S/c30-20-7-3-17(4-8-20)5-10-24(35)31-29-12-11-22(34)27-28(29)13-14-32(16-18-1-2-18)23(29)15-19-6-9-21(33)26(36-27)25(19)28;1-5(2,3)4/h3-10,18,23,27,33H,1-2,11-16H2,(H,31,35);1H3,(H,2,3,4)/t23-,27+,28+,29-;/m1./s1
InChIKey
InChIKey=XAXNKAGAUFXFDO-VERRCQTKSA-N
SMILES
N(C(C=CC1=CC=C(Cl)C=C1)=O)[C@]23[C@@]45C=6C(O[C@]4(C(=O)CC2)[H])=C(O)C=CC6C[C@]3(N(CC7CC7)CC5)[H].S(C)(=O)(=O)O
Canonical SMILES
O=C(C=CC1=CC=C(Cl)C=C1)NC23CCC(=O)C4OC=5C(O)=CC=C6C5C43CCN(CC7CC7)C2C6.O=S(=O)(O)C
Other Names for this Substance
- 2-Propenamide, 3-(4-chlorophenyl)-N-[(5α)-17-(cyclopropylmethyl)-4,5-epoxy-3-hydroxy-6-oxomorphinan-14-yl]-, methanesulfonate (1:1)
- 2-Propenamide, 3-(4-chlorophenyl)-N-[(5α)-17-(cyclopropylmethyl)-4,5-epoxy-3-hydroxy-6-oxomorphinan-14-yl]-, monomethanesulfonate (salt)
- Morphinan, 2-propenamide deriv.
- NIH 10443
- NIH 10443 mesylate
