Anisodamine (Q4765340)

anisodamine (English)

[(1S,3R,5S,6S)-6-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (2S)-3-hydroxy-2-phenylpropanoate

21 September 2016

stereoisomer of

2 references

inferred from InChIKey

2 references

inferred from InChIKey

[(1S,3S,5S,6S)-6-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (2R)-3-hydroxy-2-phenylpropanoate

inferred from InChI

1 reference

inferred from InChI

7|A-Hydroxyhyoscyamine

1 reference

inferred from InChI

chemical formula

C₁₇H₂₃NO₄

1 reference

anisodamine (English)

21 September 2016

canonical SMILES

CN1C2CC(CC1C(C2)O)OC(=O)C(CO)C3=CC=CC=C3

1 reference

anisodamine (English)

21 September 2016

isomeric SMILES

CN1[C@@H]2C[C@@H](C[C@H]1[C@H](C2)O)OC(=O)[C@H](CO)C3=CC=CC=C3

1 reference

Nine new tropane alkaloids from Datura stramonium L. identified by GC/MS

anisodamine (English)

21 September 2016

1 reference

subject has role

antiarrhythmic agent

1 reference

non-steroidal anti-inflammatory drug

15 March 2018

1 reference

15 March 2018

1 reference

15 March 2018

alpha-adrenergic agonist

1 reference

15 March 2018

1 reference

15 March 2018

1 reference

15 March 2018

free radical scavengers

1 reference

InChI=1S/C17H23NO4/c1-18-12-7-13(9-15(18)16(20)8-12)22-17(21)14(10-19)11-5-3-2-4-6-11/h2-6,12-16,19-20H,7-10H2,1H3/t12-,13 ,14-,15 ,16 /m1/s1

15 March 2018

Anisodamine

0 references

Identifiers

InChI

1 reference

anisodamine (English)

21 September 2016

WTQYWNWRJNXDEG-LEOABGAYSA-N

1 reference

anisodamine (English)

WTQYWNWRJNXDEG-ABSNHQIMSA-N

21 September 2016

1 reference

imported from Wikimedia project

ChEBI release 2020-09-01

CAS Registry Number

55869-99-3

1 reference

1 reference

Anisodamine (English)

21 September 2016

2 references

anisodamine (English)

matched by identifier from

21 September 2016

WTQYWNWRJNXDEG-LEOABGAYSA-N

442993

1 reference

matched by identifier from

WTQYWNWRJNXDEG-ABSNHQIMSA-N

ChEBI ID

2735

mapping relation type

exact match

2 references

ChEBI release 2019-10-02

ChEBI release 2021-03-01

SureChEMBL ID

SCHEMBL620576

2 references

matched by identifier from

inferred from InChIKey

WTQYWNWRJNXDEG-LEOABGAYSA-N

1 reference

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.164.962

27 December 2018

ECHA Substance Infocard ID

(3S,6S)-6-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl (2S)-3-hydroxy-2-phenylpropanoate (English)

quotation

CAS no.: 55869-99-3 (English)

100.164.962

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.164.962

27 December 2018

(3S,6S)-6-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl (2S)-3-hydroxy-2-phenylpropanoate (English)

quotation

CAS no.: 55869-99-3 (English)

1 reference