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Synopsis

Synopsis

ACTIVE PHARMA INGREDIENTS

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Chemistry

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Also known as: Bisbentiamine, 2667-89-2, Ncgc00183879-01, Beston (tn), Bisbentiamine (jan/inn), Benzoylthiamindisulfid
Molecular Formula
C38H42N8O6S2
Molecular Weight
770.9  g/mol
InChI Key
IWXAZSAGYJHXPX-LYWFMZLMSA-N

Bisbentiamine
1 2D Structure

Bisbentiamine

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
[(Z)-4-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-3-[[(Z)-2-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-5-benzoyloxypent-2-en-3-yl]disulfanyl]pent-3-enyl] benzoate
2.1.2 InChI
InChI=1S/C38H42N8O6S2/c1-25(45(23-47)21-31-19-41-27(3)43-35(31)39)33(15-17-51-37(49)29-11-7-5-8-12-29)53-54-34(16-18-52-38(50)30-13-9-6-10-14-30)26(2)46(24-48)22-32-20-42-28(4)44-36(32)40/h5-14,19-20,23-24H,15-18,21-22H2,1-4H3,(H2,39,41,43)(H2,40,42,44)/b33-25-,34-26-
2.1.3 InChI Key
IWXAZSAGYJHXPX-LYWFMZLMSA-N
2.1.4 Canonical SMILES
CC1=NC=C(C(=N1)N)CN(C=O)C(=C(CCOC(=O)C2=CC=CC=C2)SSC(=C(C)N(CC3=CN=C(N=C3N)C)C=O)CCOC(=O)C4=CC=CC=C4)C
2.1.5 Isomeric SMILES
CC1=NC=C(C(=N1)N)CN(/C(=C(\SS/C(=C(\N(C=O)CC2=CN=C(N=C2N)C)/C)/CCOC(=O)C3=CC=CC=C3)/CCOC(=O)C4=CC=CC=C4)/C)C=O
2.2 Synonyms
2.2.1 MeSH Synonyms

1. Bisbentiamine

2.2.2 Depositor-Supplied Synonyms

1. Bisbentiamine

2. 2667-89-2

3. Ncgc00183879-01

4. Beston (tn)

5. Bisbentiamine (jan/inn)

6. Benzoylthiamindisulfid

7. Dsstox_cid_28512

8. Dsstox_rid_82784

9. Dsstox_gsid_48586

10. Schembl25228

11. Chembl2105814

12. Tox21_112915

13. Zinc85537006

14. Akos025310180

15. Cas-2667-89-2

16. D01284

17. 667b892

18. A818555

19. [(e)-4-[(4-amino-2-methyl-pyrimidin-5-yl)methyl-formyl-amino]-3-[[(e)-2-[(4-amino-2-methyl-pyrimidin-5-yl)methyl-formyl-amino]-1-(2-benzoyloxyethyl)prop-1-enyl]disulfanyl]pent-3-enyl] Benzoate;bisbentiamine

2.3 Create Date
2007-12-05
3 Chemical and Physical Properties
Molecular Weight 770.9 g/mol
Molecular Formula C38H42N8O6S2
XLogP34
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count14
Rotatable Bond Count19
Exact Mass770.26687344 g/mol
Monoisotopic Mass770.26687344 g/mol
Topological Polar Surface Area247 Ų
Heavy Atom Count54
Formal Charge0
Complexity1200
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

API SUPPLIERS

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01

Ami Lifesciences Private Limited

India

USDMF, CEP/COS, JDMF, EU-WC, NDC, KDMF, VMF, Others

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CPHI Middle east
Not Confirmed
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  • WHO-GMP

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USDMF CEP/COS JDMF EU-WC NDC KDMF arrow-down VMF Others AUDIT
AMI Lifesciences

02

Zhejiang Hisun Chemical Co., Ltd.

China

USDMF, CEP/COS, JDMF, EU-WC, NDC, KDMF, VMF, Others

CPHI Middle east
Not Confirmed
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Zhejiang Hisun Chemical Co., Ltd.

China

USDMF, CEP/COS, JDMF, EU-WC, NDC, KDMF, VMF, Others

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CPHI Middle east
Not Confirmed
USDMF CEP/COS JDMF arrow-down EU-WC NDC KDMF VMF Others AUDIT
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JDMF

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CPHI Middle east
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Bisbentiamine

Registration Number : 217MF10346

Registrant's Address : 29-3 Shinmachi, Yashio City, Saitama Prefecture

Initial Date of Registration : 2005-07-27

Latest Date of Registration : 2006-05-18

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KDMF

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Bisbenthiamine

Registrant Name : Ace Biopharm Co., Ltd.

Registration Date : 2024-09-03

Registration Number : 20230807-211-J-1533(2)

Manufacturer Name : Ami Lifesciences Private Lim...

Manufacturer Address : Block No. 82/B, ECP Road At & Post. Karakhadi, Tal-Padra, City : Karakhadi-391450, Di...

AMI Lifesciences

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Bisbenthiamine

Registrant Name : Aging Life Science Co., Ltd.

Registration Date : 2023-08-07

Registration Number : 20230807-211-J-1533

Manufacturer Name : Ami Lifesciences Private Lim...

Manufacturer Address : Block No. 82/B, ECP Road At & Post. Karakhadi, Tal-Padra, City : Karakhadi-391450, Di...

AMI Lifesciences

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CPHI Middle east
Not Confirmed
  • fda
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Bisbenthiamine

Registrant Name : Pharmapia Co., Ltd.

Registration Date : 2024-06-28

Registration Number : 20230807-211-J-1533(1)

Manufacturer Name : Ami Lifesciences Private Lim...

Manufacturer Address : Block No. 82/B, ECP Road At & Post. Karakhadi, Tal-Padra, City : Karakhadi-391450, Di...

AMI Lifesciences
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Listed Suppliers

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Bisbentiamine

About the Company : Ami Lifesciences, established in 2006, is one of the fastest growing API manufacturing companies in India. Specializing in cardiovascular, anti-diabetic, CNS, and respiratory thera...

Ami Lifesciences, established in 2006, is one of the fastest growing API manufacturing companies in India. Specializing in cardiovascular, anti-diabetic, CNS, and respiratory therapeutic areas, Ami offers a wide range of APIs, intermediates, key starting materials, as well as contract bulk manufacturing services. Ami's manufacturing units in Gujarat and Karnataka feature dedicated clean rooms for APIs and adhere to international standards like EU-GMP, WHO-GMP, PMDA, and COFEPRIS. Ami serves as a reliable partner for contract development and manufacturing, offering generic APIs to global pharma companies across more than 60 countries.
AMI Lifesciences
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