Substances (GSRS)

2,3'-BIPYRIDINE, 1,2,3,6-TETRAHYDRO-, (2S)-, 2-HYDROXY-1,2,3-PROPANETRICARBOXYLATE (1:1)

Also: ANATABINE CITRATE, Anatabine citrate [WHO-DD]

chemicalUNII MZE7Y8PB3F
Open FDA's page for this record
Substance class
chemical
Definition type
PRIMARY
Definition level
COMPLETE
Uuid
c90bcb70-5829-412f-838b-67736c5956be
Version
16
UNII
MZE7Y8PB3F
Codes
  1. Uuid
    a72ceaa9-ab1f-435a-8142-e2a7be6b98c9
    Code
    1354209-03-2
    Type
    PRIMARY
    Url
    https://commonchemistry.cas.org/detail?cas_rn=1354209-03-2
    Code system
    CAS
    References
    ad68f79f-ed94-28e0-8fda-f74d1061aa4b
  2. Uuid
    6111d8cd-339b-48b1-ad15-4e3d2dfaff8b
    Code
    66627856
    Type
    PRIMARY
    Url
    https://pubchem.ncbi.nlm.nih.gov/compound/66627856
    Code system
    PUBCHEM
    References
    dc5ccf6d-b870-30cc-07b2-43e0c691c6a4
  3. Uuid
    bd55b098-f491-48a8-aca5-a41f36ad045e
    Code
    MZE7Y8PB3F
    Type
    PRIMARY
    Code system
    FDA UNII
  4. Uuid
    d0430831-0156-95ce-352f-e38302bb7e7c
    Code
    100000170501
    Type
    PRIMARY
    Code system
    SMS_ID
    References
    6e08b6be-1163-f564-32db-01ff5fad2bb9
Relationships
  1. Uuid
    8eef2edf-f98e-4b9b-9834-48fa1e2b15b4
    Type
    ACTIVE MOIETY
    References
    2715ca70-d8fc-b1a3-41d4-5c1fe161e8d4
    Related substance
    Uuid
    fcd9267b-e24a-4336-9733-ae5095f741d8
    Refuuid
    03884ff8-b18b-4511-9868-2bed4c8a85e2
    Name
    ANATABINE
    UNII
    5PP654XB7D
    Linking ID
    5PP654XB7D
    Ref pname
    ANATABINE
    Substance class
    reference
  2. Uuid
    fc4b607a-6fdf-440a-a310-4f0b874931ed
    Type
    PARENT->SALT/SOLVATE
    References
    2715ca70-d8fc-b1a3-41d4-5c1fe161e8d4
    Related substance
    Uuid
    e8320e8b-330f-4381-b62b-8bd538ec50d1
    Refuuid
    03884ff8-b18b-4511-9868-2bed4c8a85e2
    Name
    ANATABINE
    UNII
    5PP654XB7D
    Linking ID
    5PP654XB7D
    Ref pname
    ANATABINE
    Substance class
    reference
Names
  1. Uuid
    a862dc08-0d35-83ab-786f-5cc815979ddf
    Name
    2,3'-BIPYRIDINE, 1,2,3,6-TETRAHYDRO-, (2S)-, 2-HYDROXY-1,2,3-PROPANETRICARBOXYLATE (1:1)
    StdName
    2,3'-BIPYRIDINE, 1,2,3,6-TETRAHYDRO-, (2S)-, 2-HYDROXY-1,2,3-PROPANETRICARBOXYLATE (1:1)
    Type
    sys
    Preferred
    false
    Display name
    false
    Languages
    en
    References
    2715ca70-d8fc-b1a3-41d4-5c1fe161e8d4
  2. Uuid
    ff66d9e8-9702-c153-189b-8a7f719c03c9
    Name
    ANATABINE CITRATE
    StdName
    ANATABINE CITRATE
    Type
    cn
    Preferred
    false
    Display name
    true
    Languages
    en
    References
    2715ca70-d8fc-b1a3-41d4-5c1fe161e8d4
  3. Uuid
    88af6da5-599b-fef4-2fd2-e0b81a95363f
    Name
    Anatabine citrate [WHO-DD]
    StdName
    ANATABINE CITRATE [WHO-DD]
    Type
    cn
    Preferred
    false
    Display name
    false
    Languages
    en
    References
    cf569ddf-2a16-dee6-3510-3a3508bfe237
References
  1. Uuid
    ad68f79f-ed94-28e0-8fda-f74d1061aa4b
    Citation
    STN
    Doc type
    STN (SCIFINDER)
    Public domain
    true
    Tags
    PUBLIC_DOMAIN_RELEASE, NOMEN
  2. Uuid
    dc5ccf6d-b870-30cc-07b2-43e0c691c6a4
    Citation
    PUBCHEM
    Doc type
    NLM
    Public domain
    true
    Tags
    PUBLIC_DOMAIN_RELEASE, NOMEN
  3. Uuid
    2715ca70-d8fc-b1a3-41d4-5c1fe161e8d4
    Citation
    https://clinicaltrials.gov/ct2/show/NCT02432313
    Doc type
    CLINICALTRIALS
    Public domain
    true
  4. Uuid
    0fdade89-e2bd-4f00-abe0-9c8710723c2a
    Citation
    System Generated Code
    Doc type
    SYSTEM
    Public domain
    true
  5. Uuid
    080c8e3b-20aa-a3a1-a4fb-09812bafe76c
    Citation
    WHO DRUG DICTIONARY 2019
    Doc type
    WHO DRUG DICTIONARY
    Public domain
    true
  6. Uuid
    65f9305d-862e-a26a-81a6-6c42457b4039
    Doc type
    SYSTEM
    Public domain
    true
  7. Uuid
    cf569ddf-2a16-dee6-3510-3a3508bfe237
    Citation
    WHO-DD
    Doc type
    WHO DRUG DICTIONARY
    Public domain
    true
  8. Uuid
    6e08b6be-1163-f564-32db-01ff5fad2bb9
    Citation
    EU-SRS
    Doc type
    EMA LIST
    Public domain
    true
Moieties
  1. Uuid
    ac063328-aa0b-73d9-292d-5b81995bb7cf
    ID
    ac063328-aa0b-73d9-292d-5b81995bb7cf
    Smiles
    C1=CCN[C@@H](C1)c2cccnc2
    Formula
    C10H12N2
    Atropisomerism
    No
    Charge
    0
    Count
    1
    Stereochemistry
    ABSOLUTE
    Defined stereo
    1
    Ez centers
    0
    Molecular weight
    160.2161
    Optical activity
    UNSPECIFIED
    Stereo centers
    1
    Molfile

    Marvin 01132108552D 12 13 0 0 1 0 999 V2000 18.9274 -4.0618 0.0000 C 0 0 2 0 0 0 0 0 0 2 0 0 18.9274 -4.8868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2129 -5.2994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4984 -4.8869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4984 -4.0618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2129 -3.6495 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.6417 -3.6495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6417 -2.8244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3562 -2.4119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0706 -2.8244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0706 -3.6495 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.3562 -4.0618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 1 6 0 0 0 1 7 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 7 8 1 0 0 0 0 12 7 2 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 12 11 1 0 0 0 0 M END

    Count amount
    Type
    MOL RATIO
    Average
    1
    Units
    MOL RATIO
    Uuid
    d2325a55-c802-45ff-b471-ae9135345e23
  2. Uuid
    ab0c80f3-33ac-d7ed-4455-f56fff6cf404
    ID
    ab0c80f3-33ac-d7ed-4455-f56fff6cf404
    Smiles
    C(C(=O)O)C(CC(=O)O)(C(=O)O)O
    Formula
    C6H8O7
    Atropisomerism
    No
    Charge
    0
    Count
    1
    Stereochemistry
    ACHIRAL
    Defined stereo
    0
    Ez centers
    0
    Molecular weight
    192.1238
    Optical activity
    NONE
    Stereo centers
    0
    Molfile

    Marvin 01132108532D 13 12 0 0 1 0 999 V2000 15.9591 -3.2369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9591 -4.0618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6735 -4.4744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2447 -4.4744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5302 -4.0618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5302 -4.8869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8158 -4.4744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1014 -4.0618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1014 -3.2369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3869 -4.4744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5302 -3.2369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8158 -2.8244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2447 -2.8244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 2 3 2 0 0 0 0 4 2 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 11 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 2 0 0 0 0 11 12 1 0 0 0 0 11 13 2 0 0 0 0 M END

    Count amount
    Type
    MOL RATIO
    Average
    1
    Units
    MOL RATIO
    Uuid
    4eb08b4f-e53e-4f56-adc5-c54c6b772c6d
Structure
ID
7c216dc4-82a8-0a5c-0d77-8c9d74d8b113
Smiles
C1=CCN[C@@H](C1)c2cccnc2.C(C(=O)O)C(CC(=O)O)(C(=O)O)O
Formula
C10H12N2.C6H8O7
Atropisomerism
No
Charge
0
Count
1
Stereochemistry
ABSOLUTE
Defined stereo
1
Ez centers
0
Molecular weight
352.3398
Optical activity
UNSPECIFIED
Stereo centers
1
Molfile

untitled.mol Marvin 01132106272D 25 25 0 0 1 0 999 V2000 18.9274 -4.0618 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.9274 -4.8868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2129 -5.2994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4984 -4.8869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4984 -4.0618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2129 -3.6495 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.3562 -4.0618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6417 -3.6495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6417 -2.8244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3562 -2.4119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0706 -2.8244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0706 -3.6495 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.2447 -4.4744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5302 -4.0618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8158 -4.4744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9591 -4.0618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9591 -3.2369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6735 -4.4744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5302 -3.2369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8158 -2.8244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2447 -2.8244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1014 -4.0618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1014 -3.2369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3869 -4.4744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5302 -4.8869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 1 6 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 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 7 12 2 0 0 0 0 1 8 1 6 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 13 16 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 14 19 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 15 22 1 0 0 0 0 14 25 1 0 0 0 0 M END

References
2715ca70-d8fc-b1a3-41d4-5c1fe161e8d4, ad68f79f-ed94-28e0-8fda-f74d1061aa4b
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Data from openFDA, FDA's public API. FDA says not to rely on it to make decisions about medical care and to treat every result as unvalidated; confirm against FDA's own record and the product labeling. Not medical or legal advice.