Substances (GSRS)

CLOROTEPINE MALEATE, (+)-

Also: PIPERAZINE, 1-(8-CHLORO-10,11-DIHYDRODIBENZO(B,F)THIEPIN-10-YL)-4-METHYL-, (+)-, (2Z)-2-BUTENEDIOATE (1:1), PIPERAZINE, 1-(8-CHLORO-10,11-D…

chemicalUNII F3Z4F45ZZ7
Open FDA's page for this record
Substance class
chemical
Definition type
PRIMARY
Definition level
COMPLETE
Uuid
c19eca17-cd20-4e89-ac5b-709b6bec4a60
Version
5
UNII
F3Z4F45ZZ7
Codes
  1. Uuid
    d089ef09-ce6b-482c-b925-7dda5e47ff1c
    Code
    41931-07-1
    Type
    PRIMARY
    Url
    https://commonchemistry.cas.org/detail?cas_rn=41931-07-1
    Code system
    CAS
    References
    2a04d693-cdc9-4678-806d-7cb9ab2bbbca, b77a88e7-5b4d-4452-95ee-7637fb2bb9af
  2. Uuid
    ccbc1b62-6f17-46ec-8ac0-f8960b622a18
    Code
    76960317
    Type
    PRIMARY
    Url
    https://pubchem.ncbi.nlm.nih.gov/compound/76960317
    Code system
    PUBCHEM
    References
    2a04d693-cdc9-4678-806d-7cb9ab2bbbca
  3. Uuid
    2a00656e-2aa1-4c27-9319-2251533053f7
    Code
    F3Z4F45ZZ7
    Type
    PRIMARY
    Code system
    FDA UNII
Names
  1. Uuid
    dd2f80e9-2d52-45a3-ab24-77d5ac5f85f3
    Name
    CLOROTEPINE MALEATE, (+)-
    StdName
    CLOROTEPINE MALEATE, (+)-
    Type
    cn
    Preferred
    false
    Display name
    true
    Languages
    en
    References
    a106b827-4183-4e45-9efe-83fd3609e8df
  2. Uuid
    6ede9c4f-c3fc-4708-b968-950af1efcefa
    Name
    PIPERAZINE, 1-(8-CHLORO-10,11-DIHYDRODIBENZO(B,F)THIEPIN-10-YL)-4-METHYL-, (+)-, (2Z)-2-BUTENEDIOATE (1:1)
    StdName
    PIPERAZINE, 1-(8-CHLORO-10,11-DIHYDRODIBENZO(B,F)THIEPIN-10-YL)-4-METHYL-, (+)-, (2Z)-2-BUTENEDIOATE (1:1)
    Type
    sys
    Preferred
    false
    Display name
    false
    Languages
    en
    References
    6b2da6a6-95d2-4787-891f-69ce40763c02
  3. Uuid
    beb3ee00-fea3-4796-a7c3-1775255c14be
    Name
    PIPERAZINE, 1-(8-CHLORO-10,11-DIHYDRODIBENZO(B,F)THIEPIN-10-YL)-4-METHYL-, (+)-, (Z)-2-BUTENEDIOATE (1:1)
    StdName
    PIPERAZINE, 1-(8-CHLORO-10,11-DIHYDRODIBENZO(B,F)THIEPIN-10-YL)-4-METHYL-, (+)-, (Z)-2-BUTENEDIOATE (1:1)
    Type
    sys
    Preferred
    false
    Display name
    false
    Languages
    en
    References
    6b2da6a6-95d2-4787-891f-69ce40763c02
References
  1. Uuid
    a106b827-4183-4e45-9efe-83fd3609e8df
    Citation
    FDA_SRS
    Doc type
    SRS
    Public domain
    true
    Tags
    NOMEN, PUBLIC_DOMAIN_RELEASE, AUTO_SELECTED
  2. Uuid
    6b2da6a6-95d2-4787-891f-69ce40763c02
    Citation
    STN
    Doc type
    SRS
    Public domain
    true
    Tags
    NOMEN
  3. Uuid
    2a04d693-cdc9-4678-806d-7cb9ab2bbbca
    Citation
    SRS CODE IMPORT
    Doc type
    SRS
    Public domain
    true
    Document date
    1493391873000
    Tags
    NOMEN
  4. Uuid
    8b7577ac-fd30-48fa-9f34-dcf36211cdfc
    Citation
    SRS import [F3Z4F45ZZ7]
    Url
    http://fdasis.nlm.nih.gov/srs/srsdirect.jsp?regno=F3Z4F45ZZ7
    Doc type
    SRS
    Public domain
    true
    Document date
    1493391873000
    Tags
    NOMEN
  5. Uuid
    b77a88e7-5b4d-4452-95ee-7637fb2bb9af
    Citation
    STN
    Doc type
    STN (SCIFINDER)
    Public domain
    true
Moieties
  1. Uuid
    c339e646-f161-49a5-bde1-dc0c1139701b
    ID
    c339e646-f161-49a5-bde1-dc0c1139701b
    Smiles
    C(=C/C(=O)O)/C(=O)O
    Formula
    C4H4O4
    Atropisomerism
    No
    Charge
    0
    Count
    1
    Stereochemistry
    ACHIRAL
    Defined stereo
    0
    Ez centers
    1
    Molecular weight
    116.0723
    Optical activity
    NONE
    Stereo centers
    0
    Molfile

    Marvin 01132110052D 8 7 0 0 1 0 999 V2000 10.5803 -5.4537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8713 -5.8679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8713 -6.6865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1577 -5.4537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4441 -5.8679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4441 -6.6864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7351 -7.1004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1577 -7.1004 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 5 4 2 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 2 0 0 0 0 M END

    Count amount
    Type
    MOL RATIO
    Average
    1
    Units
    MOL RATIO
    Uuid
    083ce9c3-864d-4f27-a770-1679821df1af
  2. Uuid
    56ddc83a-bee7-4ee5-a234-25a7f105e354
    ID
    56ddc83a-bee7-4ee5-a234-25a7f105e354
    Smiles
    CN1CCN(CC1)[C@H]2Cc3ccccc3Sc4ccc(cc24)Cl
    Formula
    C19H21ClN2S
    Atropisomerism
    No
    Charge
    0
    Count
    1
    Stereochemistry
    ABSOLUTE
    Defined stereo
    1
    Ez centers
    0
    Molecular weight
    344.9032
    Optical activity
    UNSPECIFIED
    Stereo centers
    1
    Molfile

    Marvin 01132104312D 23 26 0 0 1 0 999 V2000 11.9063 -7.3257 0.0000 C 0 0 1 0 0 0 0 0 0 2 0 0 11.0990 -7.5138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7434 -8.2573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9187 -8.1920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4540 -8.8748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8141 -9.6185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6342 -9.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0990 -8.9963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9064 -9.1797 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 12.5499 -8.6682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2662 -9.0791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9780 -8.6682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9780 -7.8418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6897 -7.4309 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 13.2662 -7.4309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5499 -7.8418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0895 -6.5230 0.0000 N 0 0 2 0 0 0 0 0 0 0 0 0 12.8767 -6.2799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0599 -5.4772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4562 -4.9175 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.6394 -4.1147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6643 -5.1607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4856 -5.9635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 16 1 0 0 0 0 1 17 1 6 0 0 0 3 2 1 0 0 0 0 3 4 1 0 0 0 0 8 3 2 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 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 1 0 0 0 0 16 10 2 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 2 0 0 0 0 15 16 1 0 0 0 0 17 18 1 0 0 0 0 17 23 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 M END

    Count amount
    Type
    MOL RATIO
    Average
    1
    Units
    MOL RATIO
    Uuid
    f0944b6c-8151-4b85-828d-6966d8149ca3
Structure
ID
bed6eb2e-adb1-4386-a75d-0ff861d09e6b
Smiles
CN1CCN(CC1)[C@H]2Cc3ccccc3Sc4ccc(cc24)Cl.C(=C/C(=O)O)/C(=O)O
Formula
C19H21ClN2S.C4H4O4
Atropisomerism
No
Charge
0
Count
1
Stereochemistry
ABSOLUTE
Defined stereo
1
Ez centers
1
Molecular weight
460.9755
Optical activity
( + )
Stereo centers
1
Molfile

Marvin 01132109522D 31 33 0 0 1 0 999 V2000 12.6270 -4.1107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4440 -4.9127 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.0471 -5.4718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8641 -6.2737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0777 -6.5166 0.0000 N 0 0 1 0 0 0 0 0 0 0 0 0 11.8946 -7.3185 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.5376 -7.8341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5376 -8.6597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2532 -9.0702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9643 -8.6597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9643 -7.8341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6753 -7.4236 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 13.2532 -7.4236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8947 -9.1707 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.0881 -8.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6238 -9.6697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8045 -9.6091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4447 -8.8661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9090 -8.1840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7329 -8.2492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0881 -7.5064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4744 -5.9577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6529 -5.1556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4682 -5.8846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1838 -5.4693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8995 -5.8846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6105 -5.4693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8995 -6.7056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4682 -6.7055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7572 -7.1207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1838 -7.1207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 3 1 0 0 0 0 5 4 1 0 0 0 0 6 5 1 6 0 0 0 7 6 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 13 7 1 0 0 0 0 11 13 2 0 0 0 0 14 8 1 0 0 0 0 15 14 1 0 0 0 0 16 15 2 0 0 0 0 17 16 1 0 0 0 0 18 17 2 0 0 0 0 19 18 1 0 0 0 0 20 19 2 0 0 0 0 15 20 1 0 0 0 0 20 21 1 0 0 0 0 21 6 1 0 0 0 0 5 22 1 0 0 0 0 23 22 1 0 0 0 0 2 23 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 24 29 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 M END

References
6b2da6a6-95d2-4787-891f-69ce40763c02, 8b7577ac-fd30-48fa-9f34-dcf36211cdfc
Modifications
Uuid
2e3c7e45-8733-41e6-a745-910748970ea2
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