Pipacycline
CAS Registry Number®
1110-80-1
No image available.
CAS Name
PipacyclineMolecular Formula
C29H38N4O9Molecular Mass
586.63Cite this Page
Pipacycline. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=1110-80-1 (retrieved ) (CAS RN: 1110-80-1). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C29H38N4O9/c1-28(41)15-5-4-6-18(35)19(15)23(36)20-16(28)13-17-22(31(2)3)24(37)21(26(39)29(17,42)25(20)38)27(40)30-14-33-9-7-32(8-10-33)11-12-34/h4-6,16-17,22,34-35,37-38,41-42H,7-14H2,1-3H3,(H,30,40)/t16-,17-,22-,28+,29-/m0/s1
InChIKey
InChIKey=XATZHCXBMKRRDO-REHNUXHNSA-N
SMILES
O[C@@]12[C@@](C[C@]3(C(=C1O)C(=O)C=4C([C@@]3(C)O)=CC=CC4O)[H])([C@H](N(C)C)C(O)=C(C(NCN5CCN(CCO)CC5)=O)C2=O)[H]
Canonical SMILES
O=C(NCN1CCN(CCO)CC1)C=2C(=O)C3(O)C(O)=C4C(=O)C=5C(O)=CC=CC5C(O)(C)C4CC3C(C2O)N(C)C
Other Names for this Substance
- 2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-N-[[4-(2-hydroxyethyl)-1-piperazinyl]methyl]-6-methyl-1,11-dioxo-, (4S,4aS,5aS,6S,12aS)-
- 2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-N-[[4-(2-hydroxyethyl)-1-piperazinyl]methyl]-6-methyl-1,11-dioxo-, [4S-(4α,4aα,5aα,6β,12aα)]-
- 2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-N-[[4-(2-hydroxyethyl)-1-piperazinyl]methyl]-6-methyl-1,11-dioxo-
- (4S,4aS,5aS,6S,12aS)-4-(Dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-N-[[4-(2-hydroxyethyl)-1-piperazinyl]methyl]-6-methyl-1,11-dioxo-2-naphthacenecarboxamide
- 4-Dimethylamino-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-N-([4-(2-hydroxyethyl)-1-piperazinyl]methyl)-6-methyl-1,11-dioxo-2-naphthacenecarboxamide
Deleted or Replaced CAS Registry Numbers
106298-50-4, 47830-96-6, 879634-11-4
