1-(4-Amino-2-oxo-1(2H)-pyrimidinyl)-4-[[[(4S)-2-amino-1,4,5,6-tetrahydro-1-methyl-4-pyrimidinyl]acetyl]amino]-1,2,3,4-tetradeoxy-β-D-erythro-hex-2-enopyranuronic acid
CAS Registry Number®
2005-98-3
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CAS Name
1-(4-Amino-2-oxo-1(2H)-pyrimidinyl)-4-[[[(4S)-2-amino-1,4,5,6-tetrahydro-1-methyl-4-pyrimidinyl]acetyl]amino]-1,2,3,4-tetradeoxy-β-D-erythro-hex-2-enopyranuronic acidMolecular Formula
C17H23N7O5Molecular Mass
405.41Cite this Page
1-(4-Amino-2-oxo-1(2H)-pyrimidinyl)-4-[[[(4S)-2-amino-1,4,5,6-tetrahydro-1-methyl-4-pyrimidinyl]acetyl]amino]-1,2,3,4-tetradeoxy-β-D-erythro-hex-2-enopyranuronic acid. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=2005-98-3 (retrieved ) (CAS RN: 2005-98-3). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
237-239 °C
Source(s)
Other Names and Identifiers
InChI
InChI=1S/C17H23N7O5/c1-23-6-4-9(20-16(23)19)8-12(25)21-10-2-3-13(29-14(10)15(26)27)24-7-5-11(18)22-17(24)28/h2-3,5,7,9-10,13-14H,4,6,8H2,1H3,(H2,19,20)(H,21,25)(H,26,27)(H2,18,22,28)
InChIKey
InChIKey=NXYZPLILSHUEBR-UHFFFAOYSA-N
SMILES
O=C1N(C2OC(C(O)=O)C(NC(CC3N=C(N)N(C)CC3)=O)C=C2)C=CC(N)=N1
Canonical SMILES
O=C1N=C(N)C=CN1C2OC(C(=O)O)C(C=C2)NC(=O)CC3N=C(N)N(C)CC3
Other Names for this Substance
- β-D-erythro-Hex-2-enopyranuronic acid, 1-(4-amino-2-oxo-1(2H)-pyrimidinyl)-4-[[[(4S)-2-amino-1,4,5,6-tetrahydro-1-methyl-4-pyrimidinyl]acetyl]amino]-1,2,3,4-tetradeoxy-
- Cytomycin
- β-D-erythro-Hex-2-enopyranuronic acid, 1-(4-amino-2-oxo-1(2H)-pyrimidinyl)-4-[[(2-amino-1,4,5,6-tetrahydro-1-methyl-4-pyrimidinyl)acetyl]amino]-1,2,3,4-tetradeoxy-, (S)-
- 1-(4-Amino-2-oxo-1(2H)-pyrimidinyl)-4-[[[(4S)-2-amino-1,4,5,6-tetrahydro-1-methyl-4-pyrimidinyl]acetyl]amino]-1,2,3,4-tetradeoxy-β-D-erythro-hex-2-enopyranuronic acid
Deleted or Replaced CAS Registry Numbers
10088-04-7, 11006-26-1
