万古霉素

万古霉素 基本信息
CAS号 1404-90-6 分子式 C66H76Cl3N9O24
分子量 1485.71000 精确质量  1483.41000
PSA  530.49000 LogP  4.73460

基本信息 展开↓

CAS号:
1404-90-6
3D弹球模型:
立即前往扯扯看
分子式:
C66H76Cl3N9O24
分子量:
1485.71000
中文名称:
万古霉素
英文名称:
Vancomycin
中文别名:
万古霉素;
Polimixina B;
Polimixina B [INN-Spanish];
Polymixin B;
Polymyxine B;
Polymyxine B [INN-French];
Polymyxinum B;
Polymyxinum B [INN-Latin];
UNII-J2VZ07J96K;
polymyxin B;
Neomas;
Neomcin;
Neomicina;
Neomicina [DCIT];
Neomin;
Neomycine;
Neomycine [INN-French];
Neomycinum;
Neomycinum [INN-Latin];
Nivemycin;
UNII-I16QD7X297;
Vonamycin powder V;
(1R,2R,3S,4R,6S)-4,6-diamino-2-{[3-O-(2,6-diamino-2,6-dideoxy-beta-L-idopyranosyl)-beta-D-ribofuranosyl]oxy}-3-hydroxycyclohexyl 2,6-diamino-2,6-dideoxy-alpha-D-glucopyranoside;
(1R,2R,3S,4R,6S)-4,6-diamino-2-{[3-O-(2,6-diamino-2,6-dideoxy-L-idopyranosyl)-beta-D-ribofuranosyl]oxy}-3-hydroxycyclohexyl 2,6-diamino-2,6-dideoxy-alpha-D-glucopyranoside sulfate (1:1);
(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl 2,6-diamino-2,6-dideoxy-alpha-D-glucopyranoside;
(1R,2S,3R,6R)-3-amino-6-{[(1S,2R,3R,4R,5R)-2-amino-5-(aminomethyl)-3,4-dihydroxycyclohexyl]oxy}-2-hydroxycyclohexyl 3-O-(2,6-diamino-2,6-dideoxy-beta-L-idopyranosyl)-beta-D-ribofuranoside;
(1R,2R,3S,4R,6S)-4,6-diamino-2-({3-O-[(5xi)-2,6
英文别名:
Vancomycin;
(3S-(3R(sup *),6S(sup *)(S(sup *)),7S(sup *),22S(sup *),23R(sup *),26R(sup *),36S:s*,38aS(sup *)))-3-(2-Amino-2-oxoethyl)-44-((2-O-(3-amino-2,3,6-trideoxy-3-C-methyl-lpha- L-lyxo-hexopyranosyl)-beta-D-glucopyranosyl)oxy)-10,19-dichloro-2,3,4,5,6,7,23,24,2;
Vancomycin [USAN:INN:BAN];
(3S-(3R*,6S*(S*),7S*,22S*,23R*,26R*,36S*,38aS*))-3-(2-Amino-2-oxoethyl)-44-((2-O-(3-amino-2,3,6-trideoxy-3-C-methyl-alpha-L-lyxo-hexopyranosyl)-beta-D-glucopyranosyl)oxy)-10,19-dichloro-2,3,4,5,6,7,23,24,25,26,36,37,38,38a-tetradecahydro-7,22,28,30,32-pen;
HSDB 3262;
Vancomicina [INN-Spanish];
Vancomycine [INN-French];
Vancomycinum [INN-Latin];
UNII-6Q205EH1VU;
Va;
Neomas;
Neomcin;
Neomicina;
Neomicina [DCIT];
Neomin;
Neomycine;
Neomycine [INN-French];
Neomycinum;
Neomycinum [INN-Latin];
Nivemycin;
UNII-I16QD7X297;
Vonamycin powder V;
(1R,2R,3S,4R,6S)-4,6-diamino-2-{[3-O-(2,6-diamino-2,6-dideoxy-beta-L-idopyranosyl)-beta-D-ribofuranosyl]oxy}-3-hydroxycyclohexyl 2,6-diamino-2,6-dideoxy-alpha-D-glucopyranoside;
(1R,2R,3S,4R,6S)-4,6-diamino-2-{
精确分子量/精确质量:
1483.41000
极性分子表面积/PSA:
530.49000
油水分配系数/LogP:

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值,反映了物质在油水两相中的分配情况。其中、LogP值越大,说明该物质越亲油;反之,LogP值越小,则说明该物质越亲水。
EINECS:
215-772-6
InChI:
InChI=1/C66H75Cl2N9O24/c1-23(2)12-34(71-5)58(88)76-49-51(83)26-7-10-38(32(67)14-26)97-40-16-28-17-41(55(40)101-65-56(54(86)53(85)42(22-78)99-65)100-44-21-66(4,70)57(87)24(3)96-44)98-39-11-8-27(15-33(39)68)52(84)50-63(93)75-48(64(94)95)31-18-29(79)19-37(81

物化性质展开↓

外观与性状:
近乎于白色粉末
密度:
1.65 g/cm3

安全信息展开↓

海关代码:
3004209090

合成路线查看所有的合成路线

  • 216668-88-1

    N,N'-dialloc-tri-O-allyl vancomycin allyl ester

  • ~79%

  • 1404-90-6

    万古霉素

  • 101485-50-1

    desvancosaminyl vancomycin

  • +

  • 755033-86-4

    755033-86-4

  • 1404-90-6

    万古霉素

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
YW4375000
CHEMICAL NAME :
Vancomycin
CAS REGISTRY NUMBER :
1404-90-6
LAST UPDATED :
199612
DATA ITEMS CITED :
12
MOLECULAR FORMULA :
C66-H75-Cl2-N9-O24
MOLECULAR WEIGHT :
1449.40

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Human - infant
DOSE/DURATION :
119 mg/kg
TOXIC EFFECTS :
Cardiac - pulse rate increase, without fall in BP Vascular - BP lowering not characterized in autonomic section Lungs, Thorax, or Respiration - cyanosis
REFERENCE :
JTCTDW Journal of Toxicology, Clinical Toxicology. (Marcel Dekker, 270 Madison Ave., New York, NY 10016) V.19- 1982- Volume(issue)/page/year: 34,83,1996
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Human - woman
DOSE/DURATION :
15 mg/kg/90M-C
TOXIC EFFECTS :
Skin and Appendages - dermatitis, allergic (after systemic exposure)
REFERENCE :
NEJMAG New England Journal of Medicine. (Massachusetts Medical Soc., 10 Shattuck St., Boston, MA 02115) V.198- 1928- Volume(issue)/page/year: 313,756,1985
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Human - woman
DOSE/DURATION :
170 mg/kg/19D-I
TOXIC EFFECTS :
Blood - agranulocytosis
REFERENCE :
CMAJAX Canadian Medical Association Journal. (Canadian Medical Assoc., POB 8650, Ottawa, ON K1G 0G8, Canada) V.1- 1911- Volume(issue)/page/year: 132,39,1985
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Human - infant
DOSE/DURATION :
295 mg/kg/3D-I
TOXIC EFFECTS :
Kidney, Ureter, Bladder - interstitial nephritis
REFERENCE :
JTCTDW Journal of Toxicology, Clinical Toxicology. (Marcel Dekker, 270 Madison Ave., New York, NY 10016) V.19- 1982- Volume(issue)/page/year: 30,285,1992
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Multiple routes
SPECIES OBSERVED :
Human - woman
DOSE/DURATION :
30 mg/kg/2D-I
TOXIC EFFECTS :
Skin and Appendages - dermatitis, other (after systemic exposure)
REFERENCE :
AIMEAS Annals of Internal Medicine. (American College of Physicians, 4200 Pine St., Philadelphia, PA 19104) V.1- 1927- Volume(issue)/page/year: 115,410,1991
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1734 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
85FZAT "Index of Antibiotics from Actinomycetes," Umezawa, H. et al., eds., Tokyo, Univ. of Tokyo Press, 1967 Volume(issue)/page/year: -,675,1967
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
5 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
85GDA2 "CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980- Volume(issue)/page/year: 1,315,1980
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
430 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JANTAJ Journal of Antibiotics. (Japan Antibiotics Research Assoc., 2-20-8 Kamiosaki, Shinagawa-ku, Tokyo, 141, Japan) V.2-5, 1948-52; V.21- 1968- Volume(issue)/page/year: 43,913,1990 ** OTHER MULTIPLE DOSE TOXICITY DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
640 mg/kg/4D-I
TOXIC EFFECTS :
Kidney, Ureter, Bladder - changes in tubules (including acute renal failure, acute tubular necrosis) Kidney, Ureter, Bladder - other changes in urine composition
REFERENCE :
NKRZAZ Chemotherapy (Tokyo). (Nippon Kagaku Ryoho Gakkai, 2-20-8 Kamiosaki, Shinagawa-Ku, Tokyo 141, Japan) V.1- 1953- Volume(issue)/page/year: 42,200,1995 *** REVIEWS *** TOXICOLOGY REVIEW DICPBB Drug Intelligence and Clinical Pharmacy. (POB 42435, Cincinnati, OH 45242) V.3- 1969- Volume(issue)/page/year: 8,520,1974 TOXICOLOGY REVIEW AJMEAZ American Journal of Medicine. (Technical Pub., 875 Third Ave., New York, NY 10022) V.1- 1946- Volume(issue)/page/year: 38,409,1965 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X3663 No. of Facilities: 324 (estimated) No. of Industries: 1 No. of Occupations: 7 No. of Employees: 14913 (estimated) No. of Female Employees: 13290 (estimated)

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  • 216668-88-1

    N,N'-dialloc-tri-O-allyl vancomycin allyl ester

  • 101485-50-1

    desvancosaminyl vancomycin

  • 755033-86-4

    N/A

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