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Substance Name: 1H-3-Benzazepine-7,8-diol, 6-chloro-2,3,4,5-tetrahydro-1-(4-hydroxyphenyl)-, 8-(hydrogen sulfate)
RN: 87549-39-1
InChIKey: KIMBJLCPZPHHRD-UHFFFAOYSA-N

Molecular Formula

  • C16-H16-Cl-N-O6-S

Molecular Weight

  • 385.822
 
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Names and Synonyms

  • 1H-3-Benzazepine-7,8-diol, 6-chloro-2,3,4,5-tetrahydro-1-(4-hydroxyphenyl)-, 8-(hydrogen sulfate)

Registry Numbers

CAS Registry Number

  • 87549-39-1

System Generated Number

  • 0087549391

Structure Descriptors

InChI

1S/C16H16ClNO6S/c17-15-11-5-6-18-8-13(9-1-3-10(19)4-2-9)12(11)7-14(16(15)20)24-25(21,22)23/h1-4,7,13,18-20H,5-6,8H2,(H,21,22,23)

InChIKey

KIMBJLCPZPHHRD-UHFFFAOYSA-N

Smiles

N1C[C@@H](c2c(CC1)c(c(c(c2)OS(=O)(=O)O)O)Cl)c1ccc(cc1)O