CAS号:83-88-5-维生素B2 - Riboflavin-科华智慧

1. 主信息

英文名:	Riboflavin
中文名:	维生素B2
CAS编号:	83-88-5
化学分子式：	C₁₇H₂₀N₄O₆
化学分子量：	376.4 g/mol
SMILES：	CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(CO)O)O)O
来源：	-
结构类型：	-
其它名称或标识：	Riboflavin Vitamin B 2 Vitamin B2 Vitamin G

2. 供应商与价格

供应商	包装规格	含量	价格(元)	购买	环境要求	货期	说明
科华智慧	20mg	HPLC≥99%	96	点击购买	2-8℃	现货	-
科华智慧	200mg	HPLC≥99%	480	点击购买	2-8℃	现货	-
科华智慧	25g	BR，98%	40	点击购买	2-8℃	现货	-
科华智慧	100g	BR，98%	128	点击购买	2-8℃	现货	-
科华智慧	500g	BR，98%	448	点击购买	2-8℃	现货	-

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3. 结构

3.1 二维结构

3.2 三维结构

-1 -2 -3 47 49 0 1 0 0 0 0 0999 V2000 1.5771 1.7039 0.6395 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7723 -0.2458 -1.5605 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7180 1.2430 -0.2447 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5145 0.0984 2.2992 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6591 1.6319 1.0671 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5992 4.6697 -0.5235 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3946 0.1687 -0.6768 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9293 -0.3520 0.4768 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0056 2.4739 -0.6013 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1235 3.1865 0.2663 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9687 0.5944 -0.1701 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9205 0.4004 -1.2722 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3813 0.8488 -0.7328 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4430 1.0385 0.3673 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7744 -1.1628 -0.3984 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2594 1.2169 -0.3852 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0408 -1.3962 0.1756 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0439 -2.2771 -0.6628 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5894 0.8705 0.2258 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5400 -0.1709 1.2962 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3785 -3.5763 -0.3690 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4555 -2.7049 0.4666 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6286 -3.7907 0.1958 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5852 1.9285 0.5726 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5333 -4.7204 -0.6716 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1039 -5.1680 0.5210 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8857 3.4912 -0.3009 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9720 -0.3016 0.4584 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8753 1.3221 -1.8685 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2031 -0.3658 -2.0007 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3733 1.7451 -1.3654 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2237 1.9412 0.9490 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0369 -2.1606 -1.0858 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6022 -0.3935 1.8094 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8737 -1.0631 0.7577 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4369 -2.8635 0.9096 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7995 1.4293 1.1539 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6643 -0.0534 -1.8967 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3691 1.3538 0.4693 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4773 -4.3846 -1.1148 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7840 -5.2658 0.2441 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0677 -5.4054 -1.3876 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1083 -5.1583 0.9586 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1525 -5.7832 -0.3833 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4395 -5.6435 1.2498 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7395 3.9683 0.4709 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2118 0.8746 2.8008 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 37 1 0 0 0 0 2 13 1 0 0 0 0 2 38 1 0 0 0 0 3 14 1 0 0 0 0 3 39 1 0 0 0 0 4 20 1 0 0 0 0 4 47 1 0 0 0 0 5 24 2 0 0 0 0 6 27 2 0 0 0 0 7 12 1 0 0 0 0 7 15 1 0 0 0 0 7 16 1 0 0 0 0 8 17 1 0 0 0 0 8 19 2 0 0 0 0 9 16 2 0 0 0 0 9 27 1 0 0 0 0 10 24 1 0 0 0 0 10 27 1 0 0 0 0 10 46 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 28 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 13 14 1 0 0 0 0 13 31 1 0 0 0 0 14 20 1 0 0 0 0 14 32 1 0 0 0 0 15 17 2 0 0 0 0 15 18 1 0 0 0 0 16 19 1 0 0 0 0 17 22 1 0 0 0 0 18 21 2 0 0 0 0 18 33 1 0 0 0 0 19 24 1 0 0 0 0 20 34 1 0 0 0 0 20 35 1 0 0 0 0 21 23 1 0 0 0 0 21 25 1 0 0 0 0 22 23 2 0 0 0 0 22 36 1 0 0 0 0 23 26 1 0 0 0 0 25 40 1 0 0 0 0 25 41 1 0 0 0 0 25 42 1 0 0 0 0 26 43 1 0 0 0 0 26 44 1 0 0 0 0 26 45 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

7,8-dimethyl-10-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]benzo[g]pteridine-2,4-dione

4.2 InChl

InChI=1S/C17H20N4O6/c1-7-3-9-10(4-8(7)2)21(5-11(23)14(25)12(24)6-22)15-13(18-9)16(26)20-17(27)19-15/h3-4,11-12,14,22-25H,5-6H2,1-2H3,(H,20,26,27)/t11-,12+,14-/m0/s1

4.3 InChlKey

AUNGANRZJHBGPY-SCRDCRAPSA-N

4.4 Canonical SMILES

CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(CO)O)O)O

4.5 lsomeric SMILES

CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO)O)O)O

4.6 SDF文件

补充中

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5. 波谱数据

5.1 ¹³C核磁共振谱(¹³C NMR)

5.2 ¹H核磁共振谱(¹H NMR)

5.3 质谱(MS)

补充中

5.4 红外光谱(IR)

补充中

5.5 紫外/可见光谱(UV/Vis)

补充中

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6. 相关药材

中文名称	英文名称	拉丁文名称
白扁豆	White Hyacinth Bean	Semen Lablab Album
白果	Ginkgo seed	Semen Ginkgo
川楝子	Szechwan Chiberry Fruit	Fructus Meliae Toosendan
大枣	Jujube Chinese date	Fructus Zizyphi Jujubae
冬虫夏草	Chinese Caterpillar Fungus	Cordyceps
断血流	Clinopodium Herb	Herba Clinopodii
峨参	Woodland Beakchervil	Anthriscus sylvestris
枸杞子	fruit of Chinese Wolfberry	Fructus Lycii
红花	Safflower	Flos Carthami
黄芪	root of Membranous Milkvetch	Radix Astragali

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7. 相关靶点

基因靶点

靶点位置

参考文献

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8. 相关疾病

疾病名称

疾病类型