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Chemistry

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Also known as: 32981-86-5, Mls002702103, Nsc251677, 10-deacetylbaccatin-iii, 10-dab iii, Docetaxel impurity 3
Molecular Formula
C29H36O10
Molecular Weight
544.6  g/mol
InChI Key
YWLXLRUDGLRYDR-UHFFFAOYSA-N

10-Deacetylbaccatin- III
10-deacetylbaccatin is a natural product found in Taxus wallichiana, Taxus wallichiana var. wallichiana, and other organisms with data available.
1 2D Structure

10-Deacetylbaccatin- III

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(4-acetyloxy-1,9,12,15-tetrahydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl) benzoate
2.1.2 InChI
InChI=1S/C29H36O10/c1-14-17(31)12-29(36)24(38-25(35)16-9-7-6-8-10-16)22-27(5,23(34)21(33)20(14)26(29,3)4)18(32)11-19-28(22,13-37-19)39-15(2)30/h6-10,17-19,21-22,24,31-33,36H,11-13H2,1-5H3
2.1.3 InChI Key
YWLXLRUDGLRYDR-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1O)O)OC(=O)C5=CC=CC=C5)(CO4)OC(=O)C)O)C)O
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 32981-86-5

2. Mls002702103

3. Nsc251677

4. 10-deacetylbaccatin-iii

5. 10-dab Iii

6. Docetaxel Impurity 3

7. 10-deacetyl Baccatin Iii

8. 7-epi-10-deacetyl-baccatin Iii

9. Nsc-251677

10. Tetrol Fr. Taxus Brevifolia

11. Schembl432541

12. 10-dab

13. Chembl1713307

14. 10-deacetylbaccatin (10-dab)

15. 8-epi-10-deacety Baccatin Iii

16. Bcp07070

17. Bcp29274

18. Stl565984

19. Akos015895539

20. Akos024288610

21. Ac-8253

22. Ls-15262

23. Nci60_002012

24. Smr001565671

25. Ft-0665489

26. Ft-0665490

27. Ft-0700873

28. 10-deacetyl Pound>>7-epi-10-dab Pound>>docetaxel 7-epi-dab-impurity

29. 10-deacetylbaccatin; 10-deacetylbaccatin Iii; 10-deacetylbaccatin-iii

30. 4-(acetyloxy)-1,7,10,13-tetrahydroxy-9-oxo-5,20-epoxytax-11-en-2-yl Benzoate

31. [(1s,2s,3r,4s,7r,9s,10s,12r,15s)-4-acetyloxy-1,9,12,15-tetrahydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.0^{3,10.0^{4,7]heptadec-13-en-2-yl] Benzoate

2.3 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 544.6 g/mol
Molecular Formula C29H36O10
XLogP30.6
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count5
Exact Mass544.23084734 g/mol
Monoisotopic Mass544.23084734 g/mol
Topological Polar Surface Area160 Ų
Heavy Atom Count39
Formal Charge0
Complexity1090
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count9
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

API SUPPLIERS

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01

Alchem International Private Ltd

India

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Rochem International Inc

U.S.A

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Virtual BoothRochem, your partner in developing, sourcing, and supplying pharmaceutical & animal health ingredients of Chinese origin.

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Rochem

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Deccan Nutraceuticals Pvt. Ltd

India

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

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Antibody Engineering
Not Confirmed
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Deccan Nutraceuticals

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Ningbo Green-Health Pharmaceutical

China

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Ningbo Green-Health Pharmaceutical

China

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Wuxi Taxus Pharmaceutical

China

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Wuxi Taxus Pharmaceutical

China

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Yunnan Hande Bio-Tech Co.,Ltd

China

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Yunnan Hande Bio-Tech Co.,Ltd

China

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Indena

Italy

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Indena

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Fuji Chemical Industry

Japan

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Fuji Chemical Industry

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S M HERBALS PVT LTD

India

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S M HERBALS PVT LTD

India

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Shijiazhuang Yiling Pharmaceutical...

China

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Shijiazhuang Yiling Pharmaceutical...

China

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USDMF

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Virtual BoothAlchem offers Phytochemical APIs for Pharmaceuticals, Cosmetics and Nutraceuticals// FDA-inspected and EU-GMP certified.

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GDUFA

DMF Review : N/A

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DMF Number : 19260

Submission : 2006-03-14

Status : Active

Type : II

Alchem

02

Antibody Engineering
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Virtual BoothDeccan Nutraceuticals: A global leader in the integrated development, manufacturing, and marketing of pharmaceutical products.

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GDUFA

DMF Review : N/A

Rev. Date :

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DMF Number : 25226

Submission : 2011-08-18

Status : Active

Type : II

Deccan Nutraceuticals

03

Antibody Engineering
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03

Antibody Engineering
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GDUFA

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Rev. Date :

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DMF Number : 29435

Submission : 2015-06-08

Status : Active

Type : II

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Hospira Boulder Inc

U.S.A

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05

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DMF Number : 16923

Submission : 2005-03-11

Status : Active

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Indena Spa

Italy

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Indena Spa

Italy
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DMF Number : 10462

Submission : 1993-08-25

Status : Active

Type : II

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Antibody Engineering
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Rev. Date :

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DMF Number : 30919

Submission : 2016-08-25

Status : Active

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S M Herbals Pvt Ltd

India

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DMF Review : N/A

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DMF Number : 23272

Submission : 2009-11-09

Status : Inactive

Type : II

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Sarv Biolabs Pvt Ltd

India

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DMF Review : N/A

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DMF Number : 20442

Submission : 2007-04-03

Status : Inactive

Type : II

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API Reference Price

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04-Mar-2022
22-Jun-2024
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