2,6-PIPERIDINEDIETHANOL, 1-METHYL-.ALPHA.,.ALPHA.'-DIPHENYL-, (.ALPHA.R,.ALPHA.'S,2R,6S)-REL-
Also: 8,10-DIPHENYLLOBELIDIOL, LOBELANIDINE, LOBELANIDINE [MI] +1
Open FDA's page for this record- Substance class
- chemical
- Definition type
- PRIMARY
- Definition level
- COMPLETE
- Uuid
- 8226056c-906f-4ab9-a63e-a93e45157358
- Version
- 5
- UNII
- J3ZM7K5LNB
- Codes
- Uuid
- 415205c8-f02c-4da2-acfc-f04cf4959b02
- Code
- 552-72-7
- Type
- PRIMARY
- Url
- https://commonchemistry.cas.org/detail?cas_rn=552-72-7
- Code system
- CAS
- References
- abd4daa7-67a2-4f86-9665-a0f216919cad, d83e53e0-0d98-49bb-9759-20b35acec44e
- Uuid
- bf1e1737-e18a-4f06-80f3-86d603e12ea7
- Code
- m280
- Comments
- Merck Index
- Type
- PRIMARY
- Url
- https://merckindex.rsc.org/monographs/m280?q=authorize
- Code system
- MERCK INDEX
- References
- abd4daa7-67a2-4f86-9665-a0f216919cad
- Uuid
- 568d18f5-2468-4467-a71b-d7d1a1605227
- Code
- 442646
- Type
- PRIMARY
- Url
- https://pubchem.ncbi.nlm.nih.gov/compound/442646
- Code system
- PUBCHEM
- References
- abd4daa7-67a2-4f86-9665-a0f216919cad
- Uuid
- d54df5c7-5095-a77e-a79d-547cd9fe712d
- Code
- Lobelanidine
- Type
- PRIMARY
- Url
- https://en.wikipedia.org/wiki/Lobelanidine
- Code system
- WIKIPEDIA
- References
- ccf898c3-bd03-73e7-d163-1b3d250516ca
- Uuid
- bae1f521-c0e1-4862-8f94-9faf8dd5ca7f
- Code
- J3ZM7K5LNB
- Type
- PRIMARY
- Code system
- FDA UNII
- Uuid
- a94a8d50-fbfc-35cb-254e-3001cfad0447
- Code
- DTXSID10970528
- Type
- PRIMARY
- Url
- https://comptox.epa.gov/dashboard/chemical/details/DTXSID10970528
- Code system
- EPA CompTox
- Uuid
- 05cd21d0-6a07-3b31-d9c5-5d1a7d82af9b
- Code
- 95097
- Type
- PRIMARY
- Url
- https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=95097
- Code system
- NSC
- References
- 34ff81c6-e88e-9303-13fd-711e143cb617
- Relationships
- Uuid
- 24455d20-f075-4b84-84fc-894980b78db3
- Type
- SALT/SOLVATE->PARENT
- Related substance
- Uuid
- 95244c82-674e-4e64-86b0-a962e7f046d0
- Refuuid
- b89f1bb4-1011-4927-9400-a576bffae64e
- Name
- LOBELANIDINE HYDROCHLORIDE
- UNII
- 7F7I5P820F
- Linking ID
- 7F7I5P820F
- Ref pname
- LOBELANIDINE HYDROCHLORIDE
- Substance class
- reference
- Names
- Uuid
- b4cfe3c3-5761-46b4-9f68-134f225a725a
- Name
- 2,6-PIPERIDINEDIETHANOL, 1-METHYL-.ALPHA.,.ALPHA.'-DIPHENYL-, (.ALPHA.R,.ALPHA.'S,2R,6S)-REL-
- StdName
- 2,6-PIPERIDINEDIETHANOL, 1-METHYL-.ALPHA.,.ALPHA.'-DIPHENYL-, (.ALPHA.R,.ALPHA.'S,2R,6S)-REL-
- Type
- sys
- Preferred
- false
- Display name
- false
- Languages
- en
- References
- 31a3904b-5946-4087-a6e3-18e6aad7f956, e07ef4bf-616c-4e74-a725-d471411dd9d2
- Uuid
- c6e1366f-6f5c-4a06-88ff-74f0af0fd457
- Name
- 8,10-DIPHENYLLOBELIDIOL
- StdName
- 8,10-DIPHENYLLOBELIDIOL
- Type
- cn
- Preferred
- false
- Display name
- false
- Languages
- en
- References
- 31a3904b-5946-4087-a6e3-18e6aad7f956, e07ef4bf-616c-4e74-a725-d471411dd9d2
- Uuid
- 11ef9277-2608-4df1-9f42-0a5f732ae83e
- Name
- LOBELANIDINE
- StdName
- LOBELANIDINE
- Type
- cn
- Preferred
- false
- Display name
- true
- Languages
- en
- References
- 6482120d-ebaf-4091-bca5-6314c06df8cc, ff861de6-3e02-4dfd-b57d-c20baa85d75f, e07ef4bf-616c-4e74-a725-d471411dd9d2, c149f887-bfac-4f48-a711-b80ba17b0068
- Uuid
- 459f5078-e784-4ddc-9451-3fcd5e741508
- Name
- LOBELANIDINE [MI]
- StdName
- LOBELANIDINE [MI]
- Type
- cn
- Preferred
- false
- Display name
- false
- Languages
- en
- References
- ff861de6-3e02-4dfd-b57d-c20baa85d75f, e07ef4bf-616c-4e74-a725-d471411dd9d2
- Uuid
- 0fccc4dc-2738-4d7f-8296-45019ae05b47
- Name
- NSC-95097
- StdName
- NSC-95097
- Type
- cd
- Preferred
- false
- Display name
- false
- Languages
- en
- References
- 31a3904b-5946-4087-a6e3-18e6aad7f956, e07ef4bf-616c-4e74-a725-d471411dd9d2
- References
- Uuid
- ff861de6-3e02-4dfd-b57d-c20baa85d75f
- Citation
- MERCK INDEX
- Doc type
- SRS
- Public domain
- true
- Tags
- NOMEN, PUBLIC_DOMAIN_RELEASE, AUTO_SELECTED
- Uuid
- e07ef4bf-616c-4e74-a725-d471411dd9d2
- Citation
- MERCK INDEX
- Doc type
- MERCK INDEX
- Public domain
- true
- Tags
- NOMEN
- Uuid
- 31a3904b-5946-4087-a6e3-18e6aad7f956
- Citation
- STN
- Doc type
- SRS
- Public domain
- true
- Tags
- NOMEN
- Uuid
- c149f887-bfac-4f48-a711-b80ba17b0068
- Citation
- CFSAN
- Doc type
- SRS
- Public domain
- true
- Tags
- NOMEN
- Uuid
- abd4daa7-67a2-4f86-9665-a0f216919cad
- Citation
- SRS CODE IMPORT
- Doc type
- SRS
- Public domain
- true
- Document date
- 1493392078000
- Tags
- NOMEN
- Uuid
- 77e374f5-52dd-43b6-aed5-e8a9cd8bf909
- Citation
- SRS import [J3ZM7K5LNB]
- Url
- http://fdasis.nlm.nih.gov/srs/srsdirect.jsp?regno=J3ZM7K5LNB
- Doc type
- SRS
- Public domain
- true
- Document date
- 1493392078000
- Tags
- NOMEN
- Uuid
- 6482120d-ebaf-4091-bca5-6314c06df8cc
- Citation
- LOBELANIDINE [MI]
- Doc type
- SRS_LOCATOR
- Public domain
- true
- Uuid
- ccf898c3-bd03-73e7-d163-1b3d250516ca
- Citation
- WIKI
- Url
- https://en.wikipedia.org/wiki/Lobelanidine
- Doc type
- WIKI
- Public domain
- true
- Tags
- NOMEN, PUBLIC_DOMAIN_RELEASE
- Uuid
- d83e53e0-0d98-49bb-9759-20b35acec44e
- Citation
- STN
- Doc type
- STN (SCIFINDER)
- Public domain
- true
- Uuid
- 34ff81c6-e88e-9303-13fd-711e143cb617
- Citation
- NCI
- Doc type
- NCI DRUG DICTIONARY
- Public domain
- true
- Moieties
- Uuid
- b4c11057-b37d-424c-af71-f8da57c9a7a1
- ID
- b4c11057-b37d-424c-af71-f8da57c9a7a1
- Smiles
- CN1[C@@H](CCC[C@@H]1C[C@H](c2ccccc2)O)C[C@@H](c3ccccc3)O
- Formula
- C22H29NO2
- Atropisomerism
- No
- Charge
- 0
- Count
- 1
- Stereochemistry
- ABSOLUTE
- Defined stereo
- 4
- Ez centers
- 0
- Molecular weight
- 339.472
- Optical activity
- UNSPECIFIED
- Stereo centers
- 4
- Molfile
Marvin 01132109212D 25 27 0 0 0 0 999 V2000 2.2378 -1.5880 0.0000 C 0 0 1 0 0 0 0 0 0 2 0 0 1.5233 -1.1755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9522 -1.1755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6667 -1.5880 0.0000 C 0 0 2 0 0 0 0 0 0 2 0 0 3.6667 -2.4130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3811 -2.8255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0956 -2.4130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0956 -1.5880 0.0000 C 0 0 2 0 0 0 0 0 0 1 0 0 5.8101 -1.1755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5246 -1.5880 0.0000 C 0 0 1 0 0 0 0 0 0 1 0 0 7.2391 -1.1755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5246 -2.4130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8101 -2.8255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8101 -3.6505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5246 -4.0630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2391 -3.6505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2391 -2.8255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3811 -1.1755 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3811 -0.3505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2378 -2.4130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9522 -2.8255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9522 -3.6505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2378 -4.0630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5233 -3.6505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5233 -2.8255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 1 0 0 0 3 1 1 0 0 0 0 1 20 1 0 0 0 0 4 3 1 1 0 0 0 4 5 1 0 0 0 0 18 4 1 0 0 0 0 6 5 1 0 0 0 0 7 6 1 0 0 0 0 8 7 1 0 0 0 0 8 9 1 1 0 0 0 8 18 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 1 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 17 12 2 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 18 19 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 24 23 2 0 0 0 0 25 24 1 0 0 0 0 M END
- Count amount
- Type
- MOL RATIO
- Average
- 1
- Units
- MOL RATIO
- Uuid
- 3677db54-e93d-422c-9ece-f30dd15d82c7
- Structure
- ID
- f7406053-597a-4763-bb61-b6286a628cdd
- Smiles
- CN1[C@@H](CCC[C@@H]1C[C@H](c2ccccc2)O)C[C@@H](c3ccccc3)O
- Formula
- C22H29NO2
- Atropisomerism
- No
- Charge
- 0
- Count
- 1
- Stereochemistry
- ACHIRAL
- Defined stereo
- 4
- Ez centers
- 0
- Molecular weight
- 339.472
- Optical activity
- UNSPECIFIED
- Stereo centers
- 4
- Molfile
Marvin 01132112492D 25 27 0 0 1 0 999 V2000 5.8101 -1.1755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0956 -1.5880 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0956 -2.4130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3811 -2.8255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6667 -2.4130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6667 -1.5880 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9522 -1.1755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2378 -1.5880 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2378 -2.4130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9522 -2.8255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9522 -3.6505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2378 -4.0630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5233 -3.6505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5233 -2.8255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5233 -1.1755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3811 -1.1755 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3811 -0.3505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5246 -1.5880 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2391 -1.1755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5246 -2.4130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8101 -2.8255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8101 -3.6505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5246 -4.0630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2391 -3.6505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2391 -2.8255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 1 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 6 5 1 0 0 0 0 6 7 1 1 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 13 12 2 0 0 0 0 14 13 1 0 0 0 0 9 14 2 0 0 0 0 8 15 1 1 0 0 0 16 6 1 0 0 0 0 16 17 1 0 0 0 0 2 16 1 0 0 0 0 1 18 1 0 0 0 0 18 19 1 1 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 25 20 2 0 0 0 0 M END
- References
- 77e374f5-52dd-43b6-aed5-e8a9cd8bf909, c149f887-bfac-4f48-a711-b80ba17b0068