β-D-erythro-Hex-2-enopyranuronic acid, 4-[[(3S)-3-amino-5-[(aminoiminomethyl)methylamino]-1-oxopentyl]amino]-1-(4-amino-2-oxo-1(2H)-pyrimidinyl)-1,2,3,4-tetradeoxy-, hydrochloride (1:1)
CAS Registry Number®
3513-03-9
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CAS Name
β-D-erythro-Hex-2-enopyranuronic acid, 4-[[(3S)-3-amino-5-[(aminoiminomethyl)methylamino]-1-oxopentyl]amino]-1-(4-amino-2-oxo-1(2H)-pyrimidinyl)-1,2,3,4-tetradeoxy-, hydrochloride (1:1)Molecular Formula
C17H26N8O5.ClHCite this Page
β-D-erythro-Hex-2-enopyranuronic acid, 4-[[(3S)-3-amino-5-[(aminoiminomethyl)methylamino]-1-oxopentyl]amino]-1-(4-amino-2-oxo-1(2H)-pyrimidinyl)-1,2,3,4-tetradeoxy-, hydrochloride (1:1). CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=3513-03-9 (retrieved ) (CAS RN: 3513-03-9). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
224-225 °C (decomp)
Source(s)
Other Names and Identifiers
InChI
InChI=1S/C17H26N8O5.ClH/c1-24(16(20)21)6-4-9(18)8-12(26)22-10-2-3-13(30-14(10)15(27)28)25-7-5-11(19)23-17(25)29;/h2-3,5,7,9-10,13-14H,4,6,8,18H2,1H3,(H3,20,21)(H,22,26)(H,27,28)(H2,19,23,29);1H/t9-,10-,13+,14-;/m0./s1
InChIKey
InChIKey=YQXYQOXRCNEATG-NMQKUDMSSA-N
SMILES
O=C1N([C@@H]2O[C@H](C(O)=O)[C@@H](NC(C[C@H](CCN(C(=N)N)C)N)=O)C=C2)C=CC(N)=N1.Cl
Canonical SMILES
Cl.O=C1N=C(N)C=CN1C2OC(C(=O)O)C(C=C2)NC(=O)CC(N)CCN(C(=N)N)C
Other Names for this Substance
- β-D-erythro-Hex-2-enopyranuronic acid, 4-[[(3S)-3-amino-5-[(aminoiminomethyl)methylamino]-1-oxopentyl]amino]-1-(4-amino-2-oxo-1(2H)-pyrimidinyl)-1,2,3,4-tetradeoxy-, hydrochloride (1:1)
- Blasticidin S, monohydrochloride
- β-D-erythro-Hex-2-enopyranuronic acid, 4-[[3-amino-5-[(aminoiminomethyl)methylamino]-1-oxopentyl]amino]-1-(4-amino-2-oxo-1(2H)-pyrimidinyl)-1,2,3,4-tetradeoxy-, monohydrochloride, (S)-
- β-D-erythro-Hex-2-enopyranuronic acid, 4-[[(3S)-3-amino-5-[(aminoiminomethyl)methylamino]-1-oxopentyl]amino]-1-(4-amino-2-oxo-1(2H)-pyrimidinyl)-1,2,3,4-tetradeoxy-, monohydrochloride
- Blasticidin S hydrochloride
Deleted or Replaced CAS Registry Numbers
885319-52-8