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Substance Name: Caloxetic acid
RN: 752185-61-8
UNII: PZ0O26OD9U
InChIKey: BULICHDAILNRQL-UHFFFAOYSA-I

Molecular Weight

  • 548.5354
 
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Names and Synonyms

Name of Substance

  • Caloxetic acid

Synonyms

  • Caloxetic acid
  • UNII-PZ0O26OD9U

Registry Numbers

CAS Registry Number

  • 752185-61-8

FDA UNII

  • PZ0O26OD9U

System Generated Number

  • 0752185618

Structure Descriptors

InChI

1S/C22H31N3O11.Ca/c1-2-36-17-5-3-15(4-6-17)9-16(25(13-20(30)31)14-21(32)33)10-24(22(34)35)8-7-23(11-18(26)27)12-19(28)29;/h3-6,16H,2,7-14H2,1H3,(H,26,27)(H,28,29)(H,30,31)(H,32,33)(H,34,35);/q;+2/p-5

InChIKey

BULICHDAILNRQL-UHFFFAOYSA-I

Smiles

CCOc1ccc(CC2C[N]34CC[N]56CC(=O)[O-][Ca+2]3578([N]2(CC(=O)[O-]7)CC(=O)[O-]8)([O-]C(=O)C6)[O-]C4=O)cc1