CAS Registry Number®
125317-39-7
CAS Name
Navelbine
Molecular Formula
C45H54N4O8.2C4H6O6
Compound Properties
-
Melting Point (1)
190 °C
Source(s)
- (1) Shiraishi, Masaki; Kagaku Ryoho no Ryoiki, (1999), 15(8), 1187-1190, CAplus
Other Names and Identifiers
InChI
InChI=1S/C45H54N4O8.C4H6O6/c1-8-27-19-28-22-44(40(51)55-6,36-30(25-48(23-27)24-28)29-13-10-11-14-33(29)46-36)32-20-31-34(21-35(32)54-5)47(4)38-43(31)16-18-49-17-12-15-42(9-2,37(43)49)39(57-26(3)50)45(38,53)41(52)56-7;5-1(3(7)8)2(6)4(9)10/h10-15,19-21,28,37-39,46,53H,8-9,16-18,22-25H2,1-7H3;1-2,5-6H,(H,7,8)(H,9,10)
InChIKey
InChIKey=UUHYRRXICWUZHW-UHFFFAOYSA-N
SMILES
C(C(C(O)=O)O)(C(O)=O)O.C(C)C12C3C4(C(C(C(OC)=O)(O)C1OC(C)=O)N(C)C=5C4=CC(=C(OC)C5)C6(C(OC)=O)C7=C(C=8C(N7)=CC=CC8)CN9CC(C6)C=C(CC)C9)CCN3CC=C2
Canonical SMILES
O=C(O)C(O)C(O)C(=O)O.O=C(OC1C(O)(C(=O)OC)C2N(C3=CC(OC)=C(C=C3C42CCN5CC=CC1(CC)C54)C6(C(=O)OC)C=7NC=8C=CC=CC8C7CN9CC(=CC(C9)C6)CC)C)C
Other Names for this Substance
- Aspidospermidine-3-carboxylic acid, 4-(acetyloxy)-6,7-didehydro-15-[(2R,6R,8S)-4-ethyl-1,3,6,7,8,9-hexahydro-8-(methoxycarbonyl)-2,6-methano-2H-azecino[4,3-b]indol-8-yl]-3-hydroxy-16-methoxy-1-methyl-, methyl ester, (2β,3β,4β,5α,12R,19α)-, (2R,3R)-2,3-dihydroxybutanedioate (1:2) (salt)
- C′-Norvincaleukoblastine, 3′,4′-didehydro-4′-deoxy-, [R-(R*,R*)]-2,3-dihydroxybutanedioate (1:2) (salt)
- Vinorelbine ditartrate
- KW 2307
- Navelbine ditartrate
- Vinorelbine tartrate
- Navelbine
- Nor-5′-anhydrovinblastine ditartrate
- Aspidospermidine-3-carboxylic acid, 4-(acetyloxy)-6,7-didehydro-15-[(2R,6R,8S)-4-ethyl-1,3,6,7,8,9-hexahydro-8-(methoxycarbonyl)-2,6-methano-2H-azecino[4,3-b]indol-8-yl]-3-hydroxy-16-methoxy-1-methyl-, methyl ester, (2β,3β,4β,5α,12β,19α)-, (2R,3R)-2,3-dihydroxybutanedioate (1:2) (salt)
- 3′,4′-Didehydro-4′-deoxy-C′-norvincaleukoblastine tartrate
Deleted or Replaced CAS Registry Numbers
892125-21-2
