Details of the Drug

General Information of Drug (ID: DMKRHTI)

Drug Name

Hepatitis B vaccine

Synonyms

SPSXSWRZQFPVTJ-ZQQKUFEYSA-N; Heplisav; Bimmugen; HBV vaccine, Chemo-Sero-Therapeutic; Hepatitis B vaccine, Chemo-Sero-Therapeutic; Hepatitis B vaccine, Emergent BioSolutions

Indication

Disease Entry	ICD 11	Status	REF
Hepatitis B virus infection	1E51.0	Approved	[1]
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Structure

3D MOL

2D MOL

Chemical Identifiers

Formula: C135H199N39O38S
Canonical SMILES: CC(C)CC(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CC2=CC=CC=C2)C(=O)N3CCCC3C(=O)NC(C)C(=O)NCC(=O)NCC(=O)OC(=O)C(C(C)C)NC(=O)C(CCCNC(=N)N)NC(=O)C4CCCN4C(=O)C(CC(=O)O)NC(=O)C(CCC(=O)N)NC(=O)C(CC(C)C)NC(=O)C(C(C)O)NC(=O)C(CCC(=O)N)NC(=O)C(CC5C=NC=N5)NC(=O)C(CC6=CC=CC=C6)NC(=O)C(C(C)O)NC(=O)C(C(C)O)NC(=O)C(CO)NC(=O)C(CC(=O)N)NC(=O)C(CC7=CNC8=CC=CC=C87)NC(=O)C(CCC(=O)N)NC(=O)C(CCSC)N)NC(=O)CNC(=O)C(CCCNC(=N)N)N
InChI: 1S/C135H199N39O38S/c1-66(2)50-87(155-104(185)62-152-112(190)80(136)29-20-45-147-134(142)143)118(196)160-89(53-75-34-36-78(179)37-35-75)121(199)166-94(54-74-26-16-13-17-27-74)131(209)173-47-22-32-97(173)126(204)154-69(7)111(189)151-61-103(184)150-63-106(188)212-133(211)107(68(5)6)169-116(194)83(31-21-46-148-135(144)145)159-127(205)98-33-23-48-174(98)132(210)95(58-105(186)187)167-115(193)85(39-42-100(139)181)157-119(197)88(51-67(3)4)164-128(206)108(70(8)176)170-117(195)86(40-43-101(140)182)158-123(201)92(56-77-60-146-65-153-77)162-120(198)90(52-73-24-14-12-15-25-73)165-129(207)109(71(9)177)172-130(208)110(72(10)178)171-125(203)96(64-175)168-124(202)93(57-102(141)183)163-122(200)91(55-76-59-149-82-30-19-18-28-79(76)82)161-114(192)84(38-41-99(138)180)156-113(191)81(137)44-49-213-11/h12-19,24-28,30,34-37,59-60,65-72,77,80-81,83-98,107-110,149,175-179H,20-23,29,31-33,38-58,61-64,136-137H2,1-11H3,(H2,138,180)(H2,139,181)(H2,140,182)(H2,141,183)(H,150,184)(H,151,189)(H,152,190)(H,154,204)(H,155,185)(H,156,191)(H,157,197)(H,158,201)(H,159,205)(H,160,196)(H,161,192)(H,162,198)(H,163,200)(H,164,206)(H,165,207)(H,166,199)(H,167,193)(H,168,202)(H,169,194)(H,170,195)(H,171,203)(H,172,208)(H,186,187)(H4,142,143,147)(H4,144,145,148)/t69-,70+,71+,72+,77?,80-,81-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,107-,108-,109-,110-/m0/s1
InChIKey: SPSXSWRZQFPVTJ-ZQQKUFEYSA-N

Cross-matching ID

PubChem CID: 16131310
CAS Number: 104504-34-9
TTD ID: D0I8YO

References

1	Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015