1-ALPHA-H,5-ALPHA-H-TROPAN-3-ALPHA-OL, (+)-TROPATE (ESTER), SULFATE (2 :1) (SALT)

CAS No.
300-40-3
CCD No.
CCD00238717
Formula
2 C17 H23 N O3 . H2 O4 S
MolWeight
676.823

Basic Information

Product Name: 1-ALPHA-H,5-ALPHA-H-TROPAN-3-ALPHA-OL, (+)-TROPATE (ESTER), SULFATE (2 :1) (SALT)
CAS: 300-40-3
English Synonyms: 1-ALPHA-H,5-ALPHA-H-TROPAN-3-ALPHA-OL, (+)-TROPATE (ESTER), SULFATE (2 :1) (SALT)
MDL Number.: MFCD01677341
H bond acceptor: 4
H bond donor: 1
Smile: CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(=O)[C@@H](CO)c3ccccc3.CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(=O)[C@@H](CO)c3ccccc3.OS(=O)(=O)O
InChi: InChI=1S/2C17H23NO3.H2O4S/c2*1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12;1-5(2,3)4/h2*2-6,13-16,19H,7-11H2,1H3;(H2,1,2,3,4)/t2*13-,14+,15+,16-;/m00./s1
InChiKey: InChIKey=HOBWAPHTEJGALG-OHXLANLFSA-N

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