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Substance Name: 1-(2-(4-Aminophenyl)ethyl)amino-1-(hexaglucosyl)deoxyglucitol
RN: 144210-46-8
InChIKey: OPOFEFXDLVVYIN-UHFFFAOYSA-N

Molecular Formula

  • C50-H84-N2-O35

Molecular Weight

  • 1273.1926
 
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Names and Synonyms

Name of Substance

  • 1-(2-(4-Aminophenyl)ethyl)amino-1-(hexaglucosyl)deoxyglucitol

Synonym

  • 1-Apeahg

Systematic Name

  • D-Glucitol, O-beta-D-glucopyranosyl-(1-3)-O-(O-beta-D-glucopyranosyl-(1-3)-O-(beta-D-glucopyranosyl-(1-6))-O-beta-D-glucopyranosyl-(1-6)-beta-D-glucopyranosyl-(1-6))-O-beta-D-glucopyranosyl-(1-6)-1-((2-(4-aminophenyl)ethyl)amino)-1-deoxy-

Registry Numbers

CAS Registry Number

  • 144210-46-8

System Generated Number

  • 0144210468

Structure Descriptors

InChI

1S/C50H84N2O35/c51-16-3-1-15(2-4-16)5-6-52-7-17(56)25(58)26(59)18(57)11-76-47-41(74)43(86-49-39(72)34(67)28(61)20(9-54)81-49)31(64)23(84-47)14-78-46-38(71)36(69)30(63)22(83-46)12-79-48-42(75)44(87-50-40(73)35(68)29(62)21(10-55)82-50)32(65)24(85-48)13-77-45-37(70)33(66)27(60)19(8-53)80-45/h1-4,17-50,52-75H,5-14,51H2

InChIKey

OPOFEFXDLVVYIN-UHFFFAOYSA-N

Smiles

c1cc(ccc1CCNCC(C(C(C(COC2C(C(C(C(O2)COC3C(C(C(C(O3)COC4C(C(C(C(O4)COC5C(C(C(C(O5)CO)O)O)O)O)OC6C(C(C(C(O6)CO)O)O)O)O)O)O)O)O)OC7C(C(C(C(O7)CO)O)O)O)O)O)O)O)O)N