1. chem960
  2. 114977-28-5
Introduction
       多烯紫杉醇(Docetaxel)又称多西紫杉醇,白色粉末或类白色粉末,抗肿瘤植物药,用于转移性乳腺癌和非小细胞肺癌的治疗。
Names and Identifiers
  • Taxotere
  • DOCETAXEL
  • DOCETAXEL TRIHYDRATE
  • n-debenzoyl-n-tert-butoxycarbonyl-10-deacetyl taxol
  • n-debenzoyl-n-(tert-butoxycarbonyl)taxol
  • )benz(1,2-b)oxet-9-ylester,(2ar-(2a-alpha,4-beta,4a-beta,6-beta,9-alpha(alph
  • -,12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydr
  • benzenepropanoicacid,beta-(((1,1-dimethylethoxy)carbonyl)amino)-alpha-hydroxy
  • rp56976
  • DOCETAXEL (TAXOTERE)
  • DocetaxelAnhydrousin-HouseStandard
  • Benzenepropanoic acid, b-[[(1,1-dimethylethoxy)carbonyl]amino]-a-hydroxy-, (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,6,11-trih ydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, (aR,bS)-
  • Benzenepropanoic acid, β-[[(1,1-dimethylethoxy)carbonyl]amino]-α-hydroxy-, 12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,6,11-trihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, [2aR-[2aα,4β,4aβ,6β,9α(αR*,βS*),11α,12α,12aα,12bα]]-
  • Benzenepropanoic acid, beta-[[(1,1-dimethylethoxy)carbonyl]amino]-alpha-hydroxy-, (2aR,4S,4aS,...
  • D107319
  • Docetaxel(Anhydrous)
  • DOCETAXEL(P)
  • Docetaxel,DOC
  • 2-amino-5-phosphopentanoicacid
  • 5-PHOSPHONO-DL-NORVALINE
  • acide amino-6 carboxy-6 hexylphosphonique
  • AP-5
  • APV
  • D-2-amino-5-phosphonovaleric acid
  • DL-2-amino-5-phosphonovaleric acid
  • DL-APV
  • docetaxcel,DTX
  • DOCETAXEL(TAXOTERE) UK 427857
  • DocetaxelAnhydrous
  • N-debenzoyl-N
  • N-DEBENZOYL-N-BOC-10-DEACETYL TAXOL
  • N-DEBENZOYL-N-TERT-BUTOXYCARBONYL-10-DEACETYL
  • TAXOTERE, DOCETAXEL
  • Trihydrate
  • Docetere
  • BIND-014
  • Decetaxel
  • NSC_628503
  • Taxotere(R)
  • Docetaxel9.5%
  • Docetaxel anhydrous
  • Docetaxol
  • EmDOC
  • RP 56976
  • Docetaxel, Trihydrate
  • TXL
  • Taxotere (TN)
  • 699121PHCA
  • NSC628503
  • Docetaxel, 98%
  • XRP6976
  • Docetaxolum [INN-Latin]
  • DSSTox_CID_20464
  • DSSTox_RID_79497
  • DSSTox_GSID_4
  • DSSTox_GSID_40464
  • (2alpha,5beta,7beta,10beta,13alpha)-4-
  • RP-56976
  • Docetaxel
  • MDL:MFCD00871399
  • InChIKey:ZDZOTLJHXYCWBA-VCVYQWHSSA-N
  • Inchi:1S/C43H53NO14/c1-22-26(55-37(51)32(48)30(24-15-11-9-12-16-24)44-38(52)58-39(3,4)5)20-43(53)35(56-36(50)25-17-13-10-14-18-25)33-41(8,34(49)31(47)29(22)40(43,6)7)27(46)19-28-42(33,21-54-28)57-23(2)45/h9-18,26-28,30-33,35,46-48,53H,19-21H2,1-8H3,(H,44,52)/t26-,27-,28+,30-,31+,32+,33-,35-,41+,42-,43+/m0/s1
  • SMILES:O1C([H])([H])[C@@]2([C@@]1([H])C([H])([H])[C@@]([H])([C@@]1(C([H])([H])[H])C([C@@]([H])(C3=C(C([H])([H])[H])[C@]([H])(C([H])([H])[C@](C3(C([H])([H])[H])C([H])([H])[H])([C@]([H])([C@]21[H])OC(C1C([H])=C([H])C([H])=C([H])C=1[H])=O)O[H])OC([C@@]([H])([C@]([H])(C1C([H])=C([H])C([H])=C([H])C=1[H])N([H])C(=O)OC(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])O[H])=O)O[H])=O)O[H])OC(C([H])([H])[H])=O
Chemical and Physical Properties

Computed Properties

  • Exact Mass: 807.9g/mol
  • Surface Charge: 0
  • XLogP3: 1.6
  • Hydrogen Bond Donor Count: 5
  • Hydrogen Bond Acceptor Count: 14
  • Rotatable Bond Count: 13
  • Exact Mass: 807.346605g/mol
  • Monoisotopic Mass: 807.346605g/mol
  • Topological Polar Surface Area: 224Ų
  • Heavy Atom Count: 58
  • Complexity: 1660
  • Isotope Atom Count: 0
  • Defined Atom Stereocenter Count: 11
  • Undefined Atom Stereocenter Count: 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Covalently-Bonded Unit Count: 1
  • 互变异构体数量: 18
  • 表面电荷: 0

Experimental Properties

  • LogP: 3.65050
  • PSA: 224.45000
  • Merck: 14,3397
  • 折射率: 1.618
  • 水溶性: Soluble in dimethyl sulfoxide and ethanol. Insoluble in water.
  • 沸点: 900.5°C at 760 mmHg
  • 闪点: 498.4ºC
  • 颜色与性状: 白色粉末
  • 溶解性: 不溶于水,溶于甲醇等
  • 比旋光度: -36 º (c=0.74,EtOH)
  • 密度: 1.38
Security Information
  • RTECS号:DA4172750
  • WGK Germany:3
  • 安全说明:S26; S36/37
  • 包装等级:III
  • 风险术语:R36/37/38
  • 危险等级:6.1(b)
  • 危險品標誌: Xi Xi
  • 危险品运输编号:1544
  • 危害声明:H302-H315-H319-H332-H335
  • 警示性声明:P261; P264; P271; P280; P302+P352; P304+P340; P305+P351+P338; P312; P321; P332+P313; P337+P313; P362; P403+P233; P405; P501
  • 储存条件:4°C, protect from light
  • PackingGroup:III
  • 危险类别码:R36/37/38:对眼睛、呼吸道和皮肤有刺激作用。
  • 信号词:Warning
  • HazardClass:6.1(b)
Customs Data
  • 海关编码:29322090
  • 海关数据:

    中国海关编码:

    2932999099

    概述:

    2932999099. 其他仅含氧杂原子的杂环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%

    申报要素:

    品名, 成分含量, 用途

    Summary:

    2932999099. other heterocyclic compounds with oxygen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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R45SY016927-10g >97% 10g ¥3800 24 Nov. 2023
R45SY016927-5g >97% 5g ¥1977 24 Nov. 2023
R45SY016927-1g >97% 1g ¥550 24 Nov. 2023
R45SY016927-0.25g >97% 0.25g ¥191 24 Nov. 2023
R45SY016927-0.1g >97% 0.1g ¥122 24 Nov. 2023
A01181603-100mg 98% 河北:7/上海:1 100mg ¥1382 24 Nov. 2023
A01181603-25mg 98% 河北:5/上海:1 25mg ¥571 24 Nov. 2023
Brand:bomeibio Supplier:合肥博美生物科技有限责任公司
No. Purity Stock Specification Price update time operate
BZP1018-20mg HPLC≥96% 现货 20mg ¥150元 15 Sep. 2023
Brand:九鼎 Supplier:上海贤鼎生物科技有限公司
No. Purity Stock Specification Price update time operate
JN577-1g 99% 1.0 1g ¥648.0 30 May. 2022
JN577-5g 99% 5g ¥2495.0 30 May. 2022
JN577-250mg 99% 2.0 250mg ¥198.0 30 May. 2022
Brand:a2bchem Supplier:A2B Chem LLC
No. Purity Stock Specification Price update time operate
AB52081-5g 97.8 - 102.0% (Assay on anhydrous and solvent free basis) in stock 5g $1043.00/ ¥7,575.52 04 Jan. 2024
AB52081-1g 97.8 - 102.0% (Assay on anhydrous and solvent free basis) in stock 1g $228.00/ ¥1,656.01 04 Jan. 2024
AB52081-250mg 97.8 - 102.0% (Assay on anhydrous and solvent free basis) in stock 250mg $88.00/ ¥639.16 04 Jan. 2024
AB52081-100mg 97.8 - 102.0% (Assay on anhydrous and solvent free basis) in stock 100mg $53.00/ ¥384.95 04 Jan. 2024
Brand:1pchem Supplier:1PlusChem
No. Purity Stock Specification Price update time operate
1P0039YP-1g >98.0%(HPLC) In Stock USA 1g $692.00/ ¥5,026.13 26 Dec. 2023
1P0039YP-100mg >98.0%(HPLC) In Stock USA 100mg $134.00/ ¥973.27 26 Dec. 2023
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