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Substance Name: Atracurium besylate, (1S,2R,1'S,2'R)-(+/-)-
RN: 1599467-99-8
UNII: 7K8HW7B7OP
InChIKey: XXZSQOVSEBAPGS-WIAUSSBUSA-L

Molecular Formula

  • C53-H72-N2-O12.2C6-H5-O3-S

Molecular Weight

  • 1243.4908
 
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Names and Synonyms

Name of Substance

  • Atracurium besylate, (1S,2R,1'S,2'R)-(+/-)-

Synonyms

  • Atracurium besylate, (1S,2R,1'S,2'R)-(+/-)-
  • Rac-(1S,2R,1'S,2'R)-2,2'-(pentane-1,5-diylbis(oxy(3-oxopropane-3,1-diyl)))bis(1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolinium) bisbenzenesulfonate
  • UNII-7K8HW7B7OP

Registry Numbers

CAS Registry Number

  • 1599467-99-8

FDA UNII

  • 7K8HW7B7OP

System Generated Number

  • 1599467998

Structure Descriptors

InChI

1S/C53H72N2O12.2C6H6O3S/c1-54(22-18-38-32-48(62-7)50(64-9)34-40(38)42(54)28-36-14-16-44(58-3)46(30-36)60-5)24-20-52(56)66-26-12-11-13-27-67-53(57)21-25-55(2)23-19-39-33-49(63-8)51(65-10)35-41(39)43(55)29-37-15-17-45(59-4)47(31-37)61-6;2*7-10(8,9)6-4-2-1-3-5-6/h14-17,30-35,42-43H,11-13,18-29H2,1-10H3;2*1-5H,(H,7,8,9)/q+2;;/p-2/t42-,43-,54+,55+;;/m0../s1

InChIKey

XXZSQOVSEBAPGS-WIAUSSBUSA-L

Smiles

C[N@@+]1(CCc2cc(c(cc2[C@@H]1Cc3ccc(c(c3)OC)OC)OC)OC)CCC(=O)OCCCCCOC(=O)CC[N@+]4(CCc5cc(c(cc5[C@@H]4Cc6ccc(c(c6)OC)OC)OC)OC)C.c1ccc(cc1)S(=O)(=O)[O-].c1ccc(cc1)S(=O)(=O)[O-]